| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1001 |
Investigation of the CS2
2+ dication using threshold photoelectrons coincidence spectroscopy
|
Hochlaf, M.
|
|
1998
|
1-10 |
1-3 |
p. 249-254
6 p.
|
artikel
|
| 1002 |
Investigation of the electrical and optical properties of iridium oxide by reflectance FTIR spectroscopy and density functional theory calculations
|
Brewer, Scott H.
|
|
2005
|
1-10 |
1-3 |
p. 25-31
7 p.
|
artikel
|
| 1003 |
Investigation on the photofragmentation of hydrogen chloride
|
Zhang, Dongfang
|
|
2008
|
1-10 |
1-3 |
p. 87-92
6 p.
|
artikel
|
| 1004 |
Investigation on the structure of liquid N-methylformamide–dimethylsulfoxide mixtures
|
Cordeiro, João M.M.
|
|
2011
|
1-10 |
1-3 |
p. 21-28
8 p.
|
artikel
|
| 1005 |
Investigations of OH–N- and NH–O-type hydrogen-bonded clusters by UV laser spectroscopy
|
Jacoby, Christoph
|
|
1998
|
1-10 |
1-3 |
p. 23-32
|
artikel
|
| 1006 |
Iodopentafluorobenzene: Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption and photoelectron spectroscopy
|
Eden, S.
|
|
2009
|
1-10 |
1-3 |
p. 111-117
7 p.
|
artikel
|
| 1007 |
Ion imaging studies of ClONO2 photodissociation: Primary branching ratios and secondary dissociation
|
Kim, Hahkjoon
|
|
2009
|
1-10 |
1-3 |
p. 90-97
8 p.
|
artikel
|
| 1008 |
Ion-molecule processes in the interstellar medium. Rates for rotational excitations in NH3-H+ collisions
|
Gianturco, F.A.
|
|
1994
|
1-10 |
1-3 |
p. 177-186
10 p.
|
artikel
|
| 1009 |
IR induced isomerisation of HDO complexes: a method for the observation of FIR spectra of matrix isolated water complexes
|
Engdahl, Anders
|
|
1996
|
1-10 |
1-3 |
p. 333-339
7 p.
|
artikel
|
| 1010 |
IR photon enhanced dissociative electron attachment to SF6: Dependence on photon, vibrational, and electron energy
|
Braun, M.
|
|
2006
|
1-10 |
1-3 |
p. 148-162
15 p.
|
artikel
|
| 1011 |
IR spectra and vibrational dephasing of the CO stretching mode in W(CO)6 doped cryogenic matrices
|
Broquier, M.
|
|
2007
|
1-10 |
1-3 |
p. 207-217
11 p.
|
artikel
|
| 1012 |
Is Cd2 truly a van der Waals molecule? Analysis of rotational profiles recorded at the
A
0
u
+
,
B
1
u
←
X
0
g
+
transitions
|
Strojecki, M.
|
|
2007
|
1-10 |
1-3 |
p. 171-180
10 p.
|
artikel
|
| 1013 |
Isolated attosecond pulses from ionization gating of high-harmonic emission
|
Abel, Mark J.
|
|
2009
|
1-10 |
1-3 |
p. 9-14
6 p.
|
artikel
|
| 1014 |
Isomeric structures, large amplitude intermolecular motions and electronic relaxation of the propynal–Ar complex
|
DeRose, Paul
|
|
1998
|
1-10 |
1-3 |
p. 235-251
|
artikel
|
| 1015 |
Isomerization kinetics of a strained Morse oscillator ring
|
Stember, Joseph N.
|
|
2011
|
1-10 |
1-3 |
p. 80-87
8 p.
|
artikel
|
| 1016 |
Isotope effect in Boudouard disproportionation reaction in optically pumped CO
|
Serdyuchenko, A.
|
|
2009
|
1-10 |
1-3 |
p. 24-32
9 p.
|
artikel
|
| 1017 |
Isotope effect in diffusion of methyl radicals in glassy ethanol-1,2d
5 at low temperatures
|
Vyazovkin, Vladimir L.
|
|
1998
|
1-10 |
1-3 |
p. 291-300
10 p.
|
artikel
|
| 1018 |
Isotope effect of the stereodynamics for the reactions H(D)+OH(D)→O(3P)+HH(D)
|
Li, Ya-Min
|
|
2011
|
1-10 |
1-3 |
p. 116-120
5 p.
|
artikel
|
| 1019 |
Isotope effects in the photochemical formation of HHgCH3 and DHgCD3 in nitrogen and methane matrices
|
Legay-Sommaire, N.
|
|
1996
|
1-10 |
1-3 |
p. 367-375
9 p.
|
artikel
|
| 1020 |
Isotope effects on nuclear magnetic shieldings calculated by including zero-point vibration corrections: the VMF approach
|
Dransfeld, Alk
|
|
2004
|
1-10 |
1-3 |
p. 47-53
7 p.
|
artikel
|
| 1021 |
Isotopic effects on the stereodynamics for the
Ne
+
H
2
+
/
Ne
+
HD
+
/
Ne
+
HT
+
reactions
|
Jing, Xiao
|
|
2011
|
1-10 |
1-3 |
p. 46-50
5 p.
|
artikel
|
| 1022 |
Is size-consistency possible with density functional approximations?
|
Savin, Andreas
|
|
2009
|
1-10 |
1-3 |
p. 91-97
7 p.
|
artikel
|
| 1023 |
Is the Kohlrausch function a good tool to account for nonexponentiality in Thermally Stimulated Depolarisation Currents (TSDC) data treatment?
|
Viciosa, Maria Teresa
|
|
2009
|
1-10 |
1-3 |
p. 156-160
5 p.
|
artikel
|
| 1024 |
Iterative path integral calculation of quantum correlation functions for dissipative systems
|
Shao, Jiushu
|
|
2001
|
1-10 |
1-3 |
p. 1-10
10 p.
|
artikel
|
| 1025 |
Jahn–Teller and spin–orbit coupling effects in transition-metal trifluorides
|
Mondal, Padmabati
|
|
2011
|
1-10 |
1-3 |
p. 56-65
10 p.
|
artikel
|
| 1026 |
Jet-cooled and room temperature FTIR spectra of the dimer of formic acid in the gas phase
|
Georges, R.
|
|
2004
|
1-10 |
1-3 |
p. 187-196
10 p.
|
artikel
|
| 1027 |
keV collisions of [H3]+ and isotopomer ions
|
Bordas-nagy, Jozsef
|
|
1988
|
1-10 |
1-3 |
p. 419-434
16 p.
|
artikel
|
| 1028 |
Kinetic control of the current through a single molecule
|
Petrov, E.G.
|
|
2006
|
1-10 |
1-3 |
p. 173-182
10 p.
|
artikel
|
| 1029 |
Kinetic Monte Carlo simulations of the oscillatory CO oxidation at high pressures: The surface oxide model
|
Noussiou, V.K.
|
|
2008
|
1-10 |
1-3 |
p. 11-20
10 p.
|
artikel
|
| 1030 |
Kinetics of diffusion-controlled reactions
|
Berezhkovskii, A.M.
|
|
1989
|
1-10 |
1-3 |
p. 41-49
9 p.
|
artikel
|
| 1031 |
Kinetics of multiphoton excitation and fragmentation of C60
|
Wurz, Peter
|
|
1994
|
1-10 |
1-3 |
p. 335-346
12 p.
|
artikel
|
| 1032 |
Kinetics of the CN+CH2CO and NCO+CH2CO reactions
|
Edwards, Michael A.
|
|
1998
|
1-10 |
1-3 |
p. 231-237
7 p.
|
artikel
|
| 1033 |
Kinetics of the recombination reactions of CClF with CF2 and with CClF
|
Caballero, N.B.
|
|
1999
|
1-10 |
1-3 |
p. 157-166
10 p.
|
artikel
|
| 1034 |
Kinetics of the R+HBr⇄RH+Br (CH3CHBr, CHBr2 or CDBr2) equilibrium. Thermochemistry of the CH3CHBr and CHBr2 radicals
|
Seetula, Jorma A.
|
|
2008
|
1-10 |
1-3 |
p. 141-146
6 p.
|
artikel
|
| 1035 |
Kinetics of triplet excitation transport in disordered organic solids
|
Włodarczyk, Jakub
|
|
2004
|
1-10 |
1-3 |
p. 139-142
4 p.
|
artikel
|
| 1036 |
Large-amplitude motion in highly quantum clusters: high-resolution infrared absorption studies of jet-cooled H2–HCl and H2–DCl
|
Anderson, David T
|
|
1998
|
1-10 |
1-3 |
p. 253-269
|
artikel
|
| 1037 |
Laser cooling of molecules by dynamically trapped states
|
Bartana, Allon
|
|
2001
|
1-10 |
1-3 |
p. 195-207
13 p.
|
artikel
|
| 1038 |
Laser excitation and emission spectroscopy of the methoxy radical in a supersonic jet
|
Misra, Prabhakar
|
|
1993
|
1-10 |
1-3 |
p. 377-385
9 p.
|
artikel
|
| 1039 |
Laser induced dynamic spectral weight transfer in La0.7Ca0.3MnO3
|
Lobad, Ahmed I.
|
|
2000
|
1-10 |
1-3 |
p. 227-236
10 p.
|
artikel
|
| 1040 |
Laser-induced fluorescence excitation spectroscopy of jet-cooled tropolone-carbon monoxide van der Waals complexes
|
Sinha, Hemant K.
|
|
1996
|
1-10 |
1-3 |
p. 397-411
15 p.
|
artikel
|
| 1041 |
Laser-induced fluorescence spectroscopy of van der Waals complexes of tetracene–Ar
N
(N⩽5) and pentacene–Ar within ultracold liquid He droplets
|
Hartmann, Matthias
|
|
1998
|
1-10 |
1-3 |
p. 139-149
|
artikel
|
| 1042 |
Lateral interaction and structures in Cl adlayers on the Ag(111) surface
|
Petrova, N.V.
|
|
2011
|
1-10 |
1-3 |
p. 35-40
6 p.
|
artikel
|
| 1043 |
Lattice anisotropy, electronic and chemical structures of uranyl carbonate, UO2CO3, from first principles
|
Matar, Samir F.
|
|
2010
|
1-10 |
1-3 |
p. 46-50
5 p.
|
artikel
|
| 1044 |
l-Cysteine films on Ag(111) investigated by electrochemical and nonlinear optical methods
|
Santos, E.
|
|
2007
|
1-10 |
1-3 |
p. 236-244
9 p.
|
artikel
|
| 1045 |
Lie algebraic approach to potential energy surface for symmetrical linear tetratomic molecule
|
Wang, Xiaoyan
|
|
2004
|
1-10 |
1-3 |
p. 111-119
9 p.
|
artikel
|
| 1046 |
Light induced cis–trans isomerization of azo compounds in polymethyl methacrylate
|
Grebenkin, S.Yu
|
|
1998
|
1-10 |
1-3 |
p. 239-248
10 p.
|
artikel
|
| 1047 |
Light-scattering anomaly in the vicinity of liquid–vapor critical point of multicomponent mixtures
|
Belyakov, M.Yu.
|
|
2011
|
1-10 |
1-3 |
p. 123-127
5 p.
|
artikel
|
| 1048 |
Linear and nonlinear electric properties and their dependence on the conformation and intramolecular H-bonding: A model study
|
Avramopoulos, Aggelos
|
|
2006
|
1-10 |
1-3 |
p. 33-44
12 p.
|
artikel
|
| 1049 |
Linear and nonlinear optical spectroscopic characterisation of triphenylamine and 1,2,3-tris(3-methylphenylphenylamino)benzene
|
Bansal, A.K.
|
|
2008
|
1-10 |
1-3 |
p. 48-56
9 p.
|
artikel
|
| 1050 |
Linearized approximations for condensed phase non-adiabatic dynamics: Multi-layered baths and Brownian dynamics implementation
|
Huo, P.
|
|
2010
|
1-10 |
1-3 |
p. 87-97
11 p.
|
artikel
|
| 1051 |
Linear optical properties and their bond length dependence of yttrium bromide from ab initio and density functional theory calculations
|
Alipour, Mojtaba
|
|
2011
|
1-10 |
1-3 |
p. 5-10
6 p.
|
artikel
|
| 1052 |
Linear response theory of activated surface diffusion with interacting adsorbates
|
Martı´nez-Casado, R.
|
|
2010
|
1-10 |
1-3 |
p. 180-193
14 p.
|
artikel
|
| 1053 |
Linestrength of the visible oxygen atmospheric transition
|
Di Stefano, G
|
|
2004
|
1-10 |
1-3 |
p. 243-249
7 p.
|
artikel
|
| 1054 |
Linestrengths of phosphorus monohydride
|
Di Stefano, G.
|
|
1999
|
1-10 |
1-3 |
p. 267-274
8 p.
|
artikel
|
| 1055 |
Liquid dynamics in ZrO2 nanoporous films
|
Portuondo-Campa, E.
|
|
2007
|
1-10 |
1-3 |
p. 11-20
10 p.
|
artikel
|
| 1056 |
Liquid–liquid equilibria for ternary polymer mixtures
|
Oh, Suk Yung
|
|
2011
|
1-10 |
1-3 |
p. 128-133
6 p.
|
artikel
|
| 1057 |
List of subjects
|
|
|
1989
|
1-10 |
1-3 |
p. 432-433
2 p.
|
artikel
|
| 1058 |
List of subjects
|
|
|
1988
|
1-10 |
1-3 |
p. 462-463
2 p.
|
artikel
|
| 1059 |
List of subjects
|
|
|
1989
|
1-10 |
1-3 |
p. 462-463
|
artikel
|
| 1060 |
Lithium chloride ionic association in dilute aqueous solution: a constrained molecular dynamics study
|
Zhang, Zhigang
|
|
2004
|
1-10 |
1-3 |
p. 221-233
13 p.
|
artikel
|
| 1061 |
Local and non-local dispersion models
|
Stone, A.J.
|
|
1989
|
1-10 |
1-3 |
p. 121-135
15 p.
|
artikel
|
| 1062 |
Local control theory applied to coupled electronic and nuclear motion
|
Gräfe, Stefanie
|
|
2006
|
1-10 |
1-3 |
p. 118-125
8 p.
|
artikel
|
| 1063 |
Localization length and intraband scattering of excitons in linear aggregates
|
Lemaistre, J.P.
|
|
1999
|
1-10 |
1-3 |
p. 283-293
11 p.
|
artikel
|
| 1064 |
Localized excitation effect on dipole moments of oligophenylenevinylenes in their excited Franck–Condon state
|
Nemkovich, N.A.
|
|
2010
|
1-10 |
1-3 |
p. 37-41
5 p.
|
artikel
|
| 1065 |
Local magnetic anisotropy in amorphous transition metals: A problem of metal physics treated with methods of quantum chemistry
|
Böhm, Michael C.
|
|
1989
|
1-10 |
1-3 |
p. 65-87
|
artikel
|
| 1066 |
Locating conical intersections relevant to photochemical reactions
|
Dick, Bernhard
|
|
2008
|
1-10 |
1-3 |
p. 65-77
13 p.
|
artikel
|
| 1067 |
Low-frequency motions in an alkali phosphate glass studied by 7Li and 31P NMR
|
Rufflé, B.
|
|
1995
|
1-10 |
1-3 |
p. 339-350
12 p.
|
artikel
|
| 1068 |
Low-power frequency conversion through parametric interaction and cascaded processes in a N-(4-nitrophenyl)-l-prolinol crystal
|
Banfi, G.P.
|
|
1999
|
1-10 |
1-3 |
p. 345-357
13 p.
|
artikel
|
| 1069 |
Low-temperature correlation functions via forward–backward quantum dynamics
|
Chen, Jonathan
|
|
2010
|
1-10 |
1-3 |
p. 15-19
5 p.
|
artikel
|
| 1070 |
Low-temperature thermoluminescence in poly(methyl-phenylsilylene)
|
Kadashchuk, A.
|
|
1998
|
1-10 |
1-3 |
p. 285-296
12 p.
|
artikel
|
| 1071 |
Magnetic field dependent yield of geminate radical pair recombination in micelles. Effect of intraradical spin lattice relaxation
|
Jørgensen, Jørgen S.
|
|
1996
|
1-10 |
1-3 |
p. 235-248
14 p.
|
artikel
|
| 1072 |
Magnetic field effects and time-resolved EPR studies on the photogenerated biradicals in phenothiazine–C60 linked systems: Clarification of the mechanism of novel magnetic field effects by dependences of methylene chain length and temperature
|
Moribe, Shinya
|
|
2007
|
1-10 |
1-3 |
p. 242-252
11 p.
|
artikel
|
| 1073 |
Magnetic field effects on positronium in liquids
|
Billard, I.
|
|
1988
|
1-10 |
1-3 |
p. 273-278
6 p.
|
artikel
|
| 1074 |
Magnetic-field-induced isotropic-nematic phase transition in porous media
|
Popa-Nita, Vlad
|
|
1999
|
1-10 |
1-3 |
p. 247-253
7 p.
|
artikel
|
| 1075 |
Magnetic properties of d1–d1–d2 MV trimers with partial electron delocalization in the generalized vibronic model
|
Hu, Haiquan
|
|
2005
|
1-10 |
1-3 |
p. 273-280
8 p.
|
artikel
|
| 1076 |
Magneto-optical studies of silver atoms in neon matrices
|
Zoueu, J.T.
|
|
2005
|
1-10 |
1-3 |
p. 89-96
8 p.
|
artikel
|
| 1077 |
Manifestation of hydration effects in dioxane–water solutions by concentration-dependent changes of thermal and elastic properties
|
Sikorska, Anna
|
|
2008
|
1-10 |
1-3 |
p. 148-154
7 p.
|
artikel
|
| 1078 |
Manipulation of two-dimensional spectra of excitonically coupled molecules by narrow-bandwidth laser pulses
|
Abramavicius, D.
|
|
2010
|
1-10 |
1-3 |
p. 22-32
11 p.
|
artikel
|
| 1079 |
Many-body exchange effects in clusters of rare gases with a chromophore: He2CO2
|
Jakowski, Jacek
|
|
1998
|
1-10 |
1-3 |
p. 573-591
|
artikel
|
| 1080 |
Many-body forces and stability of the alkaline-earth tetramers
|
Díaz-Torrejón, C.C.
|
|
2011
|
1-10 |
1-3 |
p. 67-71
5 p.
|
artikel
|
| 1081 |
Many-body interactions calculated with the direct reaction field model
|
Grozema, Ferdinand C
|
|
1999
|
1-10 |
1-3 |
p. 217-227
11 p.
|
artikel
|
| 1082 |
Many particle approach to resonance Raman scattering in crystals: Strong electron–phonon interaction and multi-phonon processes
|
Yaremko, A.M.
|
|
2011
|
1-10 |
1-3 |
p. 57-68
12 p.
|
artikel
|
| 1083 |
Mass analyzed threshold ionization spectroscopy of aza-aromatic bicyclic molecules: Benzimidazole and benzotriazole
|
Lin, Jung Lee
|
|
2007
|
1-10 |
1-3 |
p. 189-195
7 p.
|
artikel
|
| 1084 |
Mass analyzed threshold ionization spectroscopy of p -aminophenol cation and the substitution effect
|
Xie, Yan
|
|
2004
|
1-10 |
1-3 |
p. 285-290
6 p.
|
artikel
|
| 1085 |
Mass-selected “matrix isolation” infrared spectroscopy of the I−·(H2O)2 complex: making and breaking the inter-water hydrogen-bond
|
Ayotte, Patrick
|
|
1998
|
1-10 |
1-3 |
p. 485-491
|
artikel
|
| 1086 |
Mass spectra of ethylene in intense laser fields
|
Liang, Qingqing
|
|
2009
|
1-10 |
1-3 |
p. 13-17
5 p.
|
artikel
|
| 1087 |
Mathematical aspects of the fluctuating barrier problem.
|
Pechukas, Philip
|
|
1998
|
1-10 |
1-3 |
p. 5-10
6 p.
|
artikel
|
| 1088 |
Matrix formulation of direct perturbation theory of relativistic effects in a kinetically balanced basis
|
Kutzelnigg, Werner
|
|
2008
|
1-10 |
1-3 |
p. 133-146
14 p.
|
artikel
|
| 1089 |
Matrix isolation and computational study of the thermal and photochemical reactions of CrCl2O2 with GeH4, AsH3 and SeH2
|
Morris, James
|
|
2008
|
1-10 |
1-3 |
p. 203-208
6 p.
|
artikel
|
| 1090 |
Matrix isolation and theoretical investigation of the photochemical reaction of CrCl2O2 with benzenes substituted with electron withdrawing groups
|
Hoops, Michael D.
|
|
2007
|
1-10 |
1-3 |
p. 18-28
11 p.
|
artikel
|
| 1091 |
Matrix isolation infrared spectroscopic and theoretical study of noble gas coordinated dipalladium–dioxygen complexes
|
Yang, Rui
|
|
2007
|
1-10 |
1-3 |
p. 134-140
7 p.
|
artikel
|
| 1092 |
Matrix isolation infrared spectroscopic and theoretical study of the BNNO and AlNNO molecules
|
Wang, Guanjun
|
|
2007
|
1-10 |
1-3 |
p. 90-94
5 p.
|
artikel
|
| 1093 |
Matrix isolation study of the reaction of dimethyl sulfoxide with CrCl2O2 and OVCl3
|
Griner, Gary M.
|
|
2004
|
1-10 |
1-3 |
p. 63-68
6 p.
|
artikel
|
| 1094 |
Maximum entropy imaging and quantum molecular timescale generalized langevin equation theory
|
Keith McDowell, H.
|
|
1996
|
1-10 |
1-3 |
p. 91-100
10 p.
|
artikel
|
| 1095 |
Mean-field theory of anisotropic potential of rank L=4 and nonextensive formalism
|
Kayacan, O
|
|
2004
|
1-10 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 1096 |
Mean first passage time approach to reactivity of complex systems by dimension reduction
|
Schek, Israel
|
|
1989
|
1-10 |
1-3 |
p. 99-108
10 p.
|
artikel
|
| 1097 |
Measurement of very long (107 s) spin conversion times: dimethyl-s-tetrazine in durene
|
Joyeux, M.
|
|
1993
|
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New bases for the evaluation of interaction energies: An ab initio study of the CO–Ne van der Waals complex intermolecular potential and ro-vibrational spectrum
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New model of charge carrier photogeneration for poly (N-vinylcarbazole)
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New molecular species of potential interest to interstellar chemistry: A theoretical study of MgSiN, MgNSi and related species
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Mondal, Bhaskar
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| 1194 |
NIR surface enhanced Raman spectroscopy and bands assignment by DFT calculations of non-natural β-amino acids
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| 1195 |
Nitrogen complex species and its chemical nature in TiO2 for visible-light sensitized photocatalysis
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Asahi, Ryoji
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| 1196 |
193nm photolysis of CHCl3: Probe of the CH product by CRDS
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Romanzin, Claire
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NMR relaxation studies in water-alcohol mixtures: the water-rich region
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| 1198 |
NMR study of the leaving ligand and solvent effects on the solvolysis of (μ-oxo)bis(μ-acetato)diruthenium(III) complexes
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Santos, Joana Mara
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2004
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9 p.
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| 1199 |
14N NQR in the tetrazole family
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Pirnat, Janez
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7 p.
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| 1200 |
14N nuclear quadrupole coupling in amides: Ab initio studies of formamide and acetamide and a comparison with microwave and NQR data
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14N nuclear quadrupole resonance in solid 4,4′-azoxyanisole and 4,4′-bis(heptyloxy)azoxybenzene
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Seliger, J.
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| 1202 |
Noise-induced dynamic symmetry breaking and stochastic transitions in ABA molecules: II. Symmetric–antisymmetric normal mode switching
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2010
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12 p.
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| 1203 |
Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine
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Werner, Ute
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2008
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| 1204 |
Non-adiabatic effects in condensed phase activated rate processes in the near-adiabatic limit
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Shushin, A.I.
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13 p.
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| 1205 |
Non-adiabatic
E
→
M
D
, D′, β, γ, δ transitions in the first ion-pair tier of molecular iodine induced by collisions with I2, N2 and CO2
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Akopyan, M.E.
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2007
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11 p.
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| 1206 |
Non-adiabaticity in terms of dynamic potentials. An analysis of linear e⊗ϵ vibronic states
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Yin, Li
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| 1207 |
Nonadiabatic processes in solution: molecular dynamics and surface hopping
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Cattaneo, Paola
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1999
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p. 315-322
8 p.
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artikel
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| 1208 |
Nonadiabatic quantum dynamics of Br2 in solid Ar: A four-dimensional study of the B to C state predissociation
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Borowski, A.
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2008
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8 p.
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| 1209 |
Nonadiabatic reactions in condensed phase in the absence of thermal equilibrium
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Rips, Ilya
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13 p.
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artikel
|
| 1210 |
Non-adiabatic theory in terms of a single potential energy surface. The vibration–rotation levels of
H
2
+
and
D
2
+
|
Jaquet, Ralph
|
|
2008
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1-10 |
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8 p.
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artikel
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| 1211 |
Nonadiabatic two-electron transfer mediated by an irregular bridge
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Petrov, E.G.
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|
2004
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p. 265-277
13 p.
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artikel
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| 1212 |
Nonadiabatic vibrational dynamics and spectroscopy of peptides: A quantum-classical description
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Kobus, Maja
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|
2008
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1-3 |
p. 208-217
10 p.
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| 1213 |
Nonequilibrium effects in thermal reactions with reorganization. General approach and low-energy approximation
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Basilevsky, M.V.
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1989
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1-3 |
p. 103-113
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| 1214 |
Nonequilibrium generalization of Förster–Dexter theory for excitation energy transfer
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Jang, Seogjoo
|
|
2002
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14 p.
|
artikel
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| 1215 |
Non-equilibrium interlevel transitions in condensed phase far away from the avoided crossing region
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Basilevsky, M.V.
|
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1998
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16 p.
|
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| 1216 |
Nonequilibrium radiation behind a strong shock wave in CO2–N2
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Rond, C.
|
|
2007
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12 p.
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| 1217 |
Non-equivalence of groups in radical ions of symmetric molecules. I. Non-empirical study of model σ-radical
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Shchegoleva, L.N.
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1989
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p. 115-121
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| 1218 |
Non-Gaussian statistics of binding/unbinding events and the energetics of electron transfer reactions
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Matyushov, Dmitry V.
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2008
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p. 46-50
5 p.
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| 1219 |
Non-linear dielectric effect in the isotropic phase above the isotropic–cholesteric phase transition
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Mukherjee, Prabir K.
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2011
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4 p.
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| 1220 |
Nonlinearity and irreversibility in the theory of the solvent effect of proton transfer dynamics. II. Dissipative system
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Baňacký, Pavol
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1989
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|
artikel
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| 1221 |
Nonlinear optical activity measurement spectroscopy of coupled multi-chromophore systems
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Choi, Jun-Ho
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2007
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14 p.
|
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| 1222 |
Nonlinear optical organic co-crystals of merocyanine dyes and phenolic derivatives with short hydrogen bonds
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Bosshard, Christian
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1999
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18 p.
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| 1223 |
Nonlinear optical properties of polyenoctupoles: a multipolar tensorial quantum analysis
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Andraud, Chantal
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1999
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p. 243-261
19 p.
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| 1224 |
Nonlinear optical properties of pyridinium-betaines of squaric acid: Experimental and theoretical study
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Kolev, Tsonko M.
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2008
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p. 45-52
8 p.
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| 1225 |
Non-linear optical response of single molecules
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Tamarat, Ph.
|
|
1999
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12 p.
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| 1226 |
Nonlinear optical spectra of C70
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Strohkendl, F.P.
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|
1999
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| 1227 |
Non-Markovian homodyne-mediated feedback on a two-level atom: a quantum trajectory treatment
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Wang, J.
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2001
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15 p.
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| 1228 |
Non-Markovian quantum state diffusion
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Stockburger, Jürgen T.
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2001
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| 1229 |
Non-orthogonal orbitals for localized electrons III. Application to periodic one dimensional lattices
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Bignonneau, Gérald
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2001
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18 p.
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| 1230 |
Nonperturbative non-Markovian quantum master equation: Validity and limitation to calculate nonlinear response functions
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Ishizaki, Akihito
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2008
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9 p.
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| 1231 |
Nonperturbative quantum simulation of time-resolved nonlinear spectra: Methodology and application to electron transfer reactions in the condensed phase
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Wang, Haobin
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2008
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13 p.
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| 1232 |
Non-planarity and solvent effects on structural and polarizability properties of cytosine tautomers
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Alparone, A.
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|
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14 p.
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| 1233 |
Normal modes of 4-aminobenzonitrile (4-ABN). A comparison of PM3 calculations with experimental jet-cooled spectroscopy
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Yu, Haiping
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|
1993
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9 p.
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| 1234 |
[No title]
|
Vivie-Riedle, Regina de
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nvt p.
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| 1235 |
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Pechukas, Phil
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Novel effect of interplay of internal and external noise on the dynamics of calcium oscillations
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Li, Hongying
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2010
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4 p.
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| 1237 |
Novel unsymmetrically substituted push–pull phthalocyanines for second-order nonlinear optics
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Rojo, Gema
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1999
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8 p.
|
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| 1238 |
Nuclear magnetic resonance study of the phase transitions and local environments of α-alum NH4Al(SO4)2·12H2O single crystals
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Lim, Ae Ran
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|
2010
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5 p.
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| 1239 |
Nucleic acid interactions with pyrite surfaces
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Mateo-Martí, E.
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2008
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8 p.
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| 1240 |
Numbers and densities of vibrational states for the system represented by harmonic oscillators with a cutoff
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Strekalov, M.L.
|
|
2008
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p. 169-174
6 p.
|
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| 1241 |
Numerical application of the coupled cluster theory with localized orbitals to polymers. I. Total correlation energy per unit cell
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Ye, Yuan-Jie
|
|
1993
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1-3 |
p. 1-23
23 p.
|
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| 1242 |
Numerical simulations of solvation in simple polar fluids: dependence on the thermodynamic state below and above the critical point
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Graf, Peter
|
|
1998
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p. 297-312
16 p.
|
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| 1243 |
Numerical studies concerning the efficiency of various techniques in time-independent surface hopping calculations
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Huang, Xun
|
|
2008
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1-3 |
p. 139-144
6 p.
|
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| 1244 |
Observation and quantification of the hydrogen bond effect on O–H overtone intensities in an alcohol dimer
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Scharge, Tina
|
|
2008
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1-3 |
p. 167-175
9 p.
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| 1245 |
Observation and rovibrational analysis of the ν2 band of HCN–H35Cl
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Wugt Larsen, R.
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2005
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5 p.
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| 1246 |
Observation of a persistent infrared absorption following two photon ionization of liquid water
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Birkedal, Victoria
|
|
2006
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6 p.
|
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| 1247 |
OCS2+ dication spectroscopy and electronic states
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Brites, V.
|
|
2008
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11 p.
|
artikel
|
| 1248 |
OH stretching frequencies in systems with intramolecular hydrogen bonds: Harmonic and anharmonic analyses
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Spanget-Larsen, Jens
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|
2011
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p. 107-115
9 p.
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| 1249 |
On direct product based discrete variable representations for angular coordinates and the treatment of singular terms in the kinetic energy operator
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Schiffel, Gerd
|
|
2010
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8 p.
|
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| 1250 |
One-dimensional J-aggregates: Dependence of the properties of the exciton band on the model of the intermolecular coupling
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Van der Auweraer, Mark
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|
2002
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22 p.
|
artikel
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| 1251 |
On electrodynamics of extended multiphonon transitions and nature of the J-band
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Egorov, Vladimir V.
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|
2001
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p. 251-283
33 p.
|
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| 1252 |
On enantiomeric excesses obtained from racemic mixtures by using circularly polarized pulsed lasers of varying durations
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Salam, A.
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|
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15 p.
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| 1253 |
One possible origin of ethanol in interstellar medium: Photochemistry of mixed CO2–C2H6 films at 11K. A FTIR study
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Schriver, A.
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|
2007
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10 p.
|
artikel
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| 1254 |
On irregular oscillatory structures in resonant vibrational excitation cross-sections in diatomic molecules
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Houfek, Karel
|
|
2008
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7 p.
|
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| 1255 |
On mechanisms of population of spin substates of polaron pairs
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Frankevich, Eugene L.
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|
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8 p.
|
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| 1256 |
On photoinduced double-proton transfer reactions: the photophysics of the 9H-imidazo[1,2-a]benzimidazole dimer
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Catalán, J.
|
|
2004
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11 p.
|
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| 1257 |
On pseudorotation
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Sax, Alexander F.
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|
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23 p.
|
artikel
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| 1258 |
On solitonic defects in hydrogen-bonded (HF)
x
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Springborg, Michael
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|
1995
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13 p.
|
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On spontaneous and photoinduced orientational mobility of dye molecules in polymers
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Dumont, Michel
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26 p.
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| 1260 |
On temperature- and space-dimension dependent matter agglomerations in a mature growing stage
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Gadomski, A.
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On the Bayesian approach to calculating time correlation functions in quantum systems; reaction dynamics and spectroscopy
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Krilov, Goran
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2001
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14 p.
|
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| 1262 |
On the calculation of high-spin states in the full configuration-interaction formalism
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Bendazzoli, Gian Luigi
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2008
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1-3 |
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6 p.
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| 1263 |
On the calculations of the vibrational Raman spectra of small water clusters
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Cybulski, Hubert
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10 p.
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| 1264 |
On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and numerical probing
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Hanrath, Michael
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8 p.
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| 1265 |
On the conundrum of deriving exact solutions from approximate master equations
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Doll, Roland
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| 1266 |
On the eigenfunctions of the Douglas–Kroll operator
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van Wüllen, Christoph
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6 p.
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| 1267 |
On the electronic energy disposal of calcium excited atom reactions with halogen-containing compounds: Electronic branching ratio and spin–orbit state populations
1
This work received financial support from DIGCYT of Spain grant No. PB95/391.
1
|
Garay, M.
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1998
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On the electronic structure of small cyclic carbon clusters
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11 p.
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| 1269 |
On the evolution of cluster to bulk properties: a theoretical LCGTO-LDF study of free and coordinated Ni
n
clusters (n=6-147)
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Pacchioni, Gianfranco
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On the frequency function describing vibrational spectra: N-coupled Morse oscillators
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Bancewicz, Małgorzata
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6 p.
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| 1271 |
On the geometrical structure and spectral properties of pyrene monomer and sterically constrained intramolecular pyrene dimers
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Lukeš, Vladimír
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| 1272 |
On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide
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| 1273 |
On the geometry of the HO3 radical
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Varner, Mychel E.
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3 p.
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On the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene: A Feynman path integral – ab initio investigation
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Böhm, Michael C.
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| 1275 |
On the integration of the multi-configurational time-dependent Hartree (MCTDH) equations of motion
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On the Landau–Zener approach to nonadiabatic transitions for a vertical conical intersection
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Malhado, João Pedro
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On the localization of the electronic excitation in supramolecules built up by equivalent units linked by hydrogen bonds
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On the measurement of the electro-optic properties of poled side-chain copolymer films with a modified Teng–Man technique
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Michelotti, Francesco
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On the mechanism of weak-field coherent control of retinal isomerization in bacteriorhodopsin
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Prokhorenko, Valentyn I.
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| 1280 |
On the model-independent determination of 〈P
4〉 from time- and angle-resolved fluorescence depolarization on macroscopically oriented lipid multibilayer systems
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Van Langen, Herman
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1989
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| 1281 |
On the molecular conformation of bisaromatic systems the case of 2-phenyl-2H-benzotriazoles
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11 p.
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| 1282 |
On the multimode quadratic vibronic coupling problem: An open-ended solution using a parallel Lanczos algorithm
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On the nature of intramolecular vibrational energy transfer in dense molecular environments
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On the non-adiabatic dynamics of solvation: A molecular hydrodynamic formulation
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On the one-particle basis set relaxation in R12 based theories
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On the O2(v′)+O2(v′′) atmospheric reaction. II. The role of rotational excitation
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On the photodissociation of ozone in the range of 5–9eV
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On the possibility of zigzag and armchair silicon nanoribbons having the graphene structure
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On the relative stabilities of the linear and triangular forms of B3N
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On the role of conical intersections and their local topography in the photodissociation of the 1-hydroxyethyl radical
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On the role of the energy loss in turnover theories of activated rate processes
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On the sampling of microcanonical distribution for rotating triatomic molecules
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On the solution of the integral equation of the conductor-like screening model for real solvents
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On the structure and physical origin of the interaction between lithium and acetylene molecule
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On the thermal stability of tetrahedrane: Tight-binding molecular dynamics study
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| 1296 |
On the use of evaporation dynamics to characterize phase transitions in van der Waals clusters: investigations in aniline–(argon)
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| 1297 |
On the variational framework employing optimal control for biochemical thermodynamics
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O
nuclear quadrupole resonance study of proton disorder in solid benzoic acid, 4-hydroxybenzoic acid and 4-nitrobenzoic acid
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| 1299 |
O–O2 state-to-state vibrational relaxation and dissociation rates based on quasiclassical calculations
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| 1300 |
Optical absorption measurements and quantum-chemical simulations of optical properties of novel fluoro derivatives of pyrazoloquinoline
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Optical control of electronic state populations via the dynamic Stark effect
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| 1302 |
Optical enantioselection in a random ensemble of unidirectionally oriented chiral olefins
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| 1303 |
Optically pumped laser emission in K2 involving rovibrational levels near the B 1
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| 1304 |
Optical potential discrete variable representation method applied to the three-dimensional calculations of NeICl predissociation resonances
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| 1305 |
Optical properties of a streptocyanine dye single crystal with tubelike aggregation: bis(dimethylamino)-heptamethinium tetrafluoroborate BDH+BF−
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Dähne, L.
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| 1306 |
Optical properties of flavin mononucleotide: A QM/MM study of protein environment effects
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Cannuccia, Elena
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| 1307 |
Optical rotation of molecules in beams: the magic angle
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MacDermott, A.J.
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2004
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| 1308 |
Optical spectrum and crystal-field analysis of uranium trifluoride
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| 1309 |
Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplings
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Pittner, Jiri
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| 1310 |
Optimization of width parameters for quantum dynamics with frozen Gaussian basis sets
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2010
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| 1311 |
Orbital instabilities and spin-symmetry breaking in coupled-cluster calculations of indirect nuclear spin–spin coupling constants
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Auer, Alexander A.
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| 1312 |
Order–disorder phase transitions and their influence on the structure and vibrational properties of new hybrid material: 2-Amino-4-methyl-3-nitropyridinium trifluoroacetate
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Lorenc, J.
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| 1313 |
Order parameters and carbon shielding tensors of bis-MSB from 13C NMR measurements in a nematic liquid crystal
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Organic nonlinear optical crystal DAST growth and its device applications
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| 1315 |
Orientation and morphology of chloroaluminum phthalocyanine films grown by vapor deposition: Electrical field-induced molecular alignment
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Basova, Tamara V.
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| 1316 |
Origin of dissipative dynamics in correlated few electron systems
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Nest, Mathias
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| 1317 |
Origin of visible-light sensitivity in N-doped TiO2 films
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| 1318 |
Oscillatory impurity potential induced dynamics of doped quantum dots: Analysis based on coupled influence of impurity coordinate and impurity influenced domain
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Datta, Nirmal Kumar
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| 1319 |
Oxidation mechanisms of dimethyl selenide and selenoxide in the atmosphere initiated by OH radical. A theoretical study
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Wang, Liming
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| 1320 |
Oxidation of cinnamic acid derivatives: A pulse radiolysis and theoretical study
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Yadav, Pooja
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| 1321 |
Oxidation of deposited Au
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Lim, Dong Chan
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| 1322 |
Oxygen dissociation – Influence of Xe metastable
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| 1323 |
Parity alternation of interstellar molecules cyanopolyynes HC
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| 1324 |
Partial least squares prediction of the first hyperpolarizabilities of donor–acceptor polyenic derivatives
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| 1325 |
Partitioning of entangling interactions in terms of rotating wave approximation: An approach to the Bell state generation by laser fields
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Path-integral approach to a semiclassical stochastic description of quantum dissipative systems
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| 1327 |
Path-integral molecular dynamics simulations of BeO embedded in helium clusters: Formation of the stable HeBeO complex
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| 1328 |
Peculiarities of MCD C-term saturation behavior of the exchange coupled Co(II) dimers
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Penning ionization of C60 and C70
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| 1330 |
Pentamers of formic acid
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| 1331 |
Perspective on the structure of liquid water
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| 1332 |
Perturbation density functional theory for nonuniform fluid mixture based on Lagrangian theorem
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Zhou, Shiqi
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6 p.
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| 1333 |
Perturbative treatment of intercenter coupling in the framework of Redfield theory
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Kleinekathöfer, Ulrich
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10 p.
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| 1334 |
Perturbed-angular-correlation studies in hafnium doped La0.67Ca0.33MnO3
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Phase control of the competition between electronic transitions in a solvated laser dye
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Carroll, Elizabeth C.
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Phase cycling schemes for two-dimensional optical spectroscopy with a pump–probe beam geometry
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Yan, Suxia
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Phase directed excitonic transport and its limitations due to environmental influence
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Phase effects in double ionization by strong short pulses
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Eckhardt, Bruno
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Phase space distribution function approach to the Kramers problem. III. Anharmonic potentials
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Phase-tailoring molecular wave packets to time shift their dynamics
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| 1341 |
pH dependent SERS and solvation studies of tyrosine adsorbed on silver colloidal nano particles combined with DFT calculations
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| 1342 |
Phenylacetylene adsorption on Rh(100): a photoemission and photoabsorption investigation
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| 1343 |
Phosphorescence and delayed fluorescence properties of fluorone dyes in bio-related films
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| 1344 |
Photo and electroluminescence studies of poly(methyl methacrylate-co-9-anthryl methyl methacrylate)
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de Deus, Jeferson Ferreira
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Photoassisted alignment and formation of polarization gratings in a ferroelectric liquid crystal
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Photobehaviour of thio-analogues of stilbene and 1,4-distyrylbenzene studied by time-resolved absorption techniques
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Photocatalytic behaviour of metal-loaded TiO2 aqueous dispersions and films
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Photocatalytic probing of DNA sequence by using TiO2/dopamine-DNA triads
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Liu, Jianqin
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Photochemical accumulation and recombination of ion pairs undergoing the singlet–triplet conversion
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Photochemical dynamics of all-trans retinal protonated Schiff-base in solution: Excitation wavelength dependence
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Photochemistry in jet-cooled aniline derivatives
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Photochromism and holographic grating recording on a chiral side-chain liquid crystalline copolymer containing azobenzene chromophores
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Photochromism and polarization spectroscopy of p-methyl(thiobenzoyl)acetone
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Photoconductivity of polydiacetylene chains in polymer and monomer single crystals
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Photodesorption of NO from a metal surface: quantum dynamical implications of a two-mode model
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Photodestruction of NO2
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| 1357 |
Photodissociation dynamics of HN3(DN3) + hv → H(D)+ N3
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Photodissociation dynamics of hono(Ã): Velocity aligned doppler spectroscopy of the OH fragment
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Photodissociation of gaseous propionyl chloride at 248nm by time-resolved Fourier-transform infrared spectroscopy
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Tsai, Ming-Tsang
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Photodissociation of methane on platinum
1
Supported by U.S. Department of Energy grant DE-FG05-90ER45436.
1
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Photodissociation of Mg+–(CH3OH)
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France, M.R
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Photodissociation of NO2. Internal energy distribution and anisotropies in the fragments
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Photodissociation spectroscopy of (benzene–toluene)+. Charge delocalization in the hetero-dimer ion
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Photodynamics of azobenzene in a hindering environment
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Photodynamics of blue-light-regulated phosphodiesterase BlrP1 protein from Klebsiella pneumoniae and its photoreceptor BLUF domain
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Photo-dynamics of the BLUF domain containing soluble adenylate cyclase (nPAC) from the amoeboflagellate Naegleria gruberi NEG-M strain
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Photoelectron–photofragment coincidence studies of the dissociative photodetachment of O4
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Photoelectron spectroscopy of sulfur L levels in the SF5CF3 molecule
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Photoemission linewidths narrower than the quasiparticle inverse lifetime
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Photoemission studies of gold clusters thermally evaporated on multiwall carbon nanotubes
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Photoexcitation mechanisms of centrosymmetric and asymmetric fluorene derivatives in two-photon absorption
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Photoexcitation of dimethyl sulfide and dimethyl disulfide in the vacuum ultraviolet region: Rydberg states and photofragment emissions
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| 1373 |
Photofragmentation dynamics of the (N2O)2
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1
This work was carried out at the Institut für Physikalische Chemie, Universität Basel, Klingelbergstrasse 80, CH-4056, Switzerland.
1
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Photofragmentation of guanine, cytosine, leucine and methionine
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Photogeneration, charge transport, and photoconductivity of a novel PVK/CdS-nanocrystal polymer composite
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Photo-induced charge transfer in fullerene–oligothiophene dyads – A quantum-chemical study
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Photo-induced dynamics in a pyrene–isoalloxazine(flavin)–phenothiazine triad
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| 1379 |
Photoinduced electron and energy transfer in a new porphyrin–phthalocyanine triad
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| 1380 |
Photoinduced electron transfer from a terrylene dye to TiO2: Quantification of band edge shift effects
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Photoinduced intramolecular electron transfer in covalently linked porphyrin–triptycene–(bis)quinone diads and triads
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| 1382 |
Photoinduced nitrosyl linkage isomers in complexes based on the photochromic cation [RuNO(NH3)5]3+ with the paramagnetic anion [Cr(CN)6]3− and the diamagnetic anions [Co(CN)6]3− and [ZrF6]2−
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| 1383 |
Photoionization-induced dynamics of the ammonia cation studied by wave packet calculations using curvilinear coordinates
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Viel, Alexandra
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9 p.
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artikel
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| 1384 |
Photoionization mass spectrometric studies of N-methyl formamide and N,N′-dimethyl formamide in the 7–18eV photon energy range
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Leach, Sydney
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2010
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p. 10-22
13 p.
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artikel
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| 1385 |
Photoion mass spectrometry of five amino acids in the 6–22 eV photon energy range
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Jochims, Hans-Werner
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19 p.
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| 1386 |
Photoisomerization of stilbene - a theoretical study of deuteration shifts and limited internal vibrational redistribution
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p. 109-120
12 p.
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| 1387 |
Photolysis of water/dicyanoacetylene complexes: an infrared matrix isolation and theoretical study
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Guennoun, Z
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p. 23-31
9 p.
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| 1388 |
Photophysical and lasing properties of pyrromethene567 dye in liquid solution.
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11 p.
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| 1389 |
Photophysical behavior of a homologous series of amphiphilic hemicyanine dyes in thin AOT films
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Gallos, L.K
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2002
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p. 253-260
8 p.
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artikel
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| 1390 |
Photophysical characterisation of some dipyrromethene dyes in ethyl acetate and covalently bound to poly(methyl methacrylate)
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Susdorf, T.
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p. 151-158
8 p.
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| 1391 |
Photophysical characterization of pyrromethene 597 laser dye in cross-linked silicon-containing organic copolymers
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Tyagi, A.
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p. 201-214
14 p.
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| 1392 |
Photophysical properties and thermochromic shifts of electronic spectra of Nile Red in selected solvents. Excited states dipole moments
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Kawski, A.
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p. 58-64
7 p.
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| 1393 |
Photophysical properties of pheophorbide-a-substituted diaminobutane poly-propylene-imine dendrimer
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Hackbarth, Steffen
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2001
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1-3 |
p. 339-346
8 p.
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| 1394 |
Photophysical study of a cyclophane displaying intramolecular exciplex emission
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Galindo, Francisco
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p. 287-294
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| 1395 |
Photophysics and photochemistry of I2 (D, D′) in rare gas clusters
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Randall, Karen L.
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10 p.
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| 1396 |
Photophysics of 4-dimethylamino-4′-cyanostilbene and 4-azetidinyl-4′-cyanostilbene. Time-resolved fluorescence and trans-cis photoisomerisation
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13 p.
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| 1397 |
Photophysics of inter- and intra-molecularly hydrogen-bonded systems: Computational studies on the pyrrole–pyridine complex and 2(2′-pyridyl)pyrrole
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Rode, Michal F.
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2008
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p. 413-421
9 p.
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| 1398 |
Photoprocesses in multichromophoric molecular assemblies
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Markovitsi, Dimitra
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1-3 |
p. vii-viii
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| 1399 |
Photosensitization and phototherapy with furocoumarins: A quantum-chemical study
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Serrano-Pérez, Juan José
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2008
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p. 422-435
14 p.
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artikel
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| 1400 |
Photosensitization of thin SnO2 nanocrystalline semiconductor film electrodes with electron donor–acceptor metallodiporphyrin dyad
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Gervaldo, Miguel
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2005
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1-10 |
1-3 |
p. 97-109
13 p.
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artikel
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| 1401 |
Picosecond infrared multiphoton ionization of chromyl chloride
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Xie, Y.J.
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p. 197-202
6 p.
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artikel
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| 1402 |
Picosecond relaxation path of ethyl violet
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Martin, M.M.
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1989
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1-3 |
p. 279-287
|
artikel
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| 1403 |
Picosecond studies on the photodissociation dynamics of aromatic endoperoxides
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Blumenstock, Th.
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1989
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1-3 |
p. 289-298
|
artikel
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| 1404 |
Picosecond transient spectral hole-burning studies on oxazine 750 in a silicate xerogel
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Weidner, P.
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1995
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1-3 |
p. 303-319
17 p.
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artikel
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| 1405 |
Pigment Yellow 101: A showcase for photo-initiated processes in medium-sized molecules
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Plötner, J.
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2008
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1-3 |
p. 472-482
11 p.
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artikel
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| 1406 |
Platinum (II) dialkynyl bridged binuclear complex and related multinuclear oligomer: Comparison of EXAFS and X-ray crystal structure studies
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Battocchio, Chiara
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2006
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1-3 |
p. 269-274
6 p.
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artikel
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| 1407 |
Polarizabilities and dipole moments of benzaldehyde, benzoic acid and oxalic acid in polar and nonpolar solvents
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Tekin, Nalan
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|
2004
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1-10 |
1-3 |
p. 239-246
8 p.
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artikel
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| 1408 |
Polarizabilities and local fields in a diacetylene monomer and polymer crystal
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Hurst, M.
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1-3 |
p. 1-8
8 p.
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artikel
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| 1409 |
Polarizability of acetanilide and RDX in the crystal: effect of molecular geometry
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Tsiaousis, D.
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2004
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1-10 |
1-3 |
p. 317-323
7 p.
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artikel
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| 1410 |
Polarizability response spectroscopy: Formalism and simulation of ultrafast dynamics in solvation
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Moran, Andrew M.
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2007
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1-10 |
1-3 |
p. 344-356
13 p.
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artikel
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| 1411 |
Polarization and solvatochromic shift of ortho-betaine in water
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Fonseca, Tertius L.
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2008
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1-3 |
p. 109-114
6 p.
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artikel
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| 1412 |
Polarized absorption and anomalous temperature dependence of fluorescence depolarization in cylindrical J-aggregates
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Spitz, Christian
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|
2002
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1-3 |
p. 271-284
14 p.
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artikel
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| 1413 |
Polarized infrared spectra of liquid crystalline 4-octyloxy-4′-cyanobiphenyl
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Majewska, Paulina
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|
2007
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1-3 |
p. 117-127
11 p.
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artikel
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| 1414 |
Polymer dispersed liquid crystals: effects of photorefractivity and local heating on holographic recording
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Simoni, F
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|
1999
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p. 429-436
8 p.
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artikel
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| 1415 |
Polymer electro-optic devices for integrated optics
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Steier, William H
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1999
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1-3 |
p. 487-506
20 p.
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artikel
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| 1416 |
Polymethine and squarylium molecules with large excited-state absorption
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Lim, Jin Hong
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1999
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1-3 |
p. 79-97
19 p.
|
artikel
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| 1417 |
Polymorphism of 2-nitroaniline studied by calorimetric (DSC), structural (X-ray diffraction) and spectroscopic (FT-IR, Raman, UV–Vis) methods
|
Zych, Tomasz
|
|
2007
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1-10 |
1-3 |
p. 260-272
13 p.
|
artikel
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| 1418 |
Polymorphs of α-sexithiophene probed by lattice phonon Raman microscopy
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Brillante, Aldo
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|
2006
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1-10 |
1-3 |
p. 125-131
7 p.
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artikel
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| 1419 |
Pore structure of silica gel: a comparative study through BET and PALS
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Dutta, D.
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|
2005
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1-3 |
p. 319-324
6 p.
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artikel
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| 1420 |
Positivity preserving chemical Langevin equations
|
Wilkie, Joshua
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|
2008
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1-10 |
1-3 |
p. 132-138
7 p.
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artikel
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| 1421 |
Positronium dynamics in aqueous solutions of ionic surfactants
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Consolati, G.
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1996
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1-3 |
p. 449-457
9 p.
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artikel
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| 1422 |
Positronium formation and quenching in frozen and liquid solutions in octanol
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Bockstahl, Frédéric
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1998
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1-3 |
p. 393-403
11 p.
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artikel
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| 1423 |
Positronium in binary mixture n-nonadecane+
n-tricosane at high pressure
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Zgardzińska, B.
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2011
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1-3 |
p. 116-122
7 p.
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artikel
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| 1424 |
Positronium in 1-tridecene
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Pietrow, M.
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2007
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1-3 |
p. 85-89
5 p.
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artikel
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| 1425 |
Positronium solvation sites in liquid amides revealed by magnetic field effects: influence of the chemical structure of the molecules
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Billard, I.
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1-3 |
p. 365-370
6 p.
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artikel
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| 1426 |
Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations
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Hirama, Mutsumi
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2004
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1-3 |
p. 307-316
10 p.
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artikel
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| 1427 |
Potential coupling of intramolecular to intermolecular modes: an ab initio study of the amino inversion and van der Waals motions in the aniline–argon complex
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López-Tocón, I
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|
2001
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1-10 |
1-3 |
p. 29-36
8 p.
|
artikel
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| 1428 |
Potential energy curve of the
X0+(1Σ++) ground state of HgAr determined from
A0+(3Π) → X0+
and
B1(3Σ+ → X0+
fluorescence spectra
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Koperski, J.
|
|
1996
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1-10 |
1-3 |
p. 191-201
11 p.
|
artikel
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| 1429 |
Potential energy curves of 58 states of Li2
+
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Magnier, S
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1999
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1-10 |
1-3 |
p. 57-64
8 p.
|
artikel
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| 1430 |
Potential energy studies on silane dimers
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Mahlanen, Riina
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2011
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1-3 |
p. 121-126
6 p.
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artikel
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| 1431 |
Potential energy surface effects on differential cross sections for polyatomic reactions
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Nyman, Gunnar
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1995
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1-3 |
p. 223-233
11 p.
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artikel
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| 1432 |
Potential energy surfaces of ozone in its ground state and in the lowest-lying eight excited states
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Banichevich, Antonio
|
|
1993
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1-3 |
p. 155-188
34 p.
|
artikel
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| 1433 |
Potential energy surfaces of some low-lying states of fluoroformyl radical FCO
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Nanbu, Shinkoh
|
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1994
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1-3 |
p. 97-106
10 p.
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artikel
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| 1434 |
Prediction of structural and thermodynamic properties of zinc-blende AlN: molecular dynamics simulation
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Goumri-Said, Souraya
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|
2004
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1-3 |
p. 135-141
7 p.
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artikel
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| 1435 |
Prediction of surface tension of HFD-like fluids using the Fowler’s approximation
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Goharshadi, Elaheh K.
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2006
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1-3 |
p. 379-384
6 p.
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artikel
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| 1436 |
Preface to special issue “Douwe Alle Wiersma – 30 years of molecular photon echo spectroscopy”
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Nibbering, Erik T.J.
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|
2007
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1-3 |
p. 1-4
4 p.
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| 1437 |
Preferential solvation study: Solvation of sodium chloride in water-hydroxylamine mixtures
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Vizoso, Sergi
|
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1-3 |
p. 77-93
17 p.
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| 1438 |
Pressure effects on the Cl2 (D′-A′) transition at 258 nm
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Nee, J.B.
|
|
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1-3 |
p. 403-412
10 p.
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| 1439 |
Pressure-induced phase transitions in 9,10-anthracene derivatives: anthraquinone
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Brillante, A.
|
|
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1-10 |
1-3 |
p. 177-184
8 p.
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artikel
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| 1440 |
Pressure induced polymorphism in ammonium azide (NH4N3)
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Medvedev, S.A.
|
|
2011
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1-10 |
1-3 |
p. 41-44
4 p.
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artikel
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| 1441 |
Probing H2 quantum autoionization dynamics with xuv atto and femtosecond laser pulses
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Morales, Felipe
|
|
2009
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1-10 |
1-3 |
p. 58-63
6 p.
|
artikel
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| 1442 |
Probing secondary structures of end-capped tripeptide, BOC–Phe–Aib–Leu–OMe by combined study of infrared spectroscopy and quantum chemistry calculation
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Pandey, Prasenjit
|
|
2011
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1-3 |
p. 88-95
8 p.
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artikel
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| 1443 |
Probing the molecular and electronic structure of the lichen metabolite usnic acid: A DFT study
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Galasso, V.
|
|
2010
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1-3 |
p. 138-145
8 p.
|
artikel
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| 1444 |
Problem complexity in femtosecond quantum control
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Brixner, T
|
|
2001
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1-3 |
p. 241-246
6 p.
|
artikel
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| 1445 |
Product polarization on the 3A″ electronic state in the H+FO reaction and its isotope variant
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Han, Boran
|
|
2010
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1-3 |
p. 94-98
5 p.
|
artikel
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| 1446 |
Properties of structurally excellent N-doped TiO2 rutile
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Chambers, S.A.
|
|
2007
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1-3 |
p. 27-35
9 p.
|
artikel
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| 1447 |
Protein aggregation studied by forward light scattering and light transmission analysis
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Penzkofer, A.
|
|
2007
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1-10 |
1-3 |
p. 55-63
9 p.
|
artikel
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| 1448 |
Proton dynamics in the hydrogen bond. Inelastic neutron scattering by single crystals of CsH2PO4 at 20 K
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Fillaux, F.
|
|
1989
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1-3 |
p. 257-270
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| 1449 |
Proton spin–lattice relaxation in a liquid crystal–Aerosil complex above the bulk isotropization temperature
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Anoardo, E.
|
|
2004
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1-3 |
p. 99-110
12 p.
|
artikel
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| 1450 |
Proton transfer in phenothiazine photochemical oxidation: Laser flash photolysis and fluorescence studies
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Gao, Yuhe
|
|
2007
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1-3 |
p. 224-231
8 p.
|
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| 1451 |
Proton transfer processes in selenourea: UV-induced selenone→selenol photoreaction and ground state selenol→selenone proton tunneling
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Rostkowska, Hanna
|
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2004
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1-3 |
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10 p.
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| 1452 |
Pseudo Jahn–Teller versus Renner–Teller effects in the instability of linear molecules
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Liu, Yang
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2010
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1-3 |
p. 30-35
6 p.
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| 1453 |
Publisher’ s note
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2004
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1-3 |
p. v-
1 p.
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artikel
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| 1454 |
Publisher’ s note
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2004
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1-10 |
1-3 |
p. v-
1 p.
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artikel
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| 1455 |
Pulse-train control of multiphoton transitions in anharmonic progressions: Resonance loci and resonance ridges
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Seidl, Markus
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2008
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1-3 |
p. 296-307
12 p.
|
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| 1456 |
Push–pull effect on the charge transfer, and tuning of emitting color for disubstituted derivatives of mer-Alq3
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Irfan, Ahmad
|
|
2009
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1-3 |
p. 39-45
7 p.
|
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| 1457 |
Qualitative analysis of vibrational polyads: N-mode case
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|
|
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1-3 |
p. 1-13
13 p.
|
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| 1458 |
Quantification of salts and cosolvents–DNA interactions in terms of free energies: A study using the pyren-1-carboxyaldehyde as fluorescent probe
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Grueso, E.
|
|
2008
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1-10 |
1-3 |
p. 306-310
5 p.
|
artikel
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| 1459 |
Quantitative structure–activity relations based on quantum theory and wavelet transformations
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Beck, Michael E.
|
|
2009
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1-3 |
p. 121-130
10 p.
|
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| 1460 |
Quantum-chemical analysis of the propeller-shaped molecule [4,4,4]-propellahexaene. A study in heavy-atom tunneling
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Zerbetto, Francesco
|
|
1989
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1-3 |
p. 45-54
|
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| 1461 |
Quantum chemical and conventional TST calculations of rate constants for the OH+alkane reaction
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Bravo-Pérez, Graciela
|
|
2005
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1-3 |
p. 213-223
11 p.
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| 1462 |
Quantum chemical investigation of the ArCHI interaction potential. Steepness and asymmetry with implications for energy transfer
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Simonson, Margaret
|
|
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1-3 |
p. 67-83
17 p.
|
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| 1463 |
Quantum chemical study of the torsional motions for 9-vinylanthracene
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Sakata, Ken
|
|
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1-3 |
p. 69-80
12 p.
|
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| 1464 |
Quantum chemical study of TiO2/dopamine-DNA triads
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Vega-Arroyo, Manuel
|
|
2007
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1-3 |
p. 164-172
9 p.
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| 1465 |
Quantum chemistry based inversion of experimental pump–probe spectra: Model simulations for CpMn(CO)3
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Full, Jürgen
|
|
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1-3 |
p. 126-138
13 p.
|
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| 1466 |
Quantum confinement and superradiance of one-dimensional self-trapped Frenkel excitons
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Agranovich, V.M
|
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1-3 |
p. 175-184
10 p.
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| 1467 |
Quantum control of a chiral molecular motor driven by femtosecond laser pulses: Mechanisms of regular and reverse rotations
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Yamaki, M.
|
|
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p. 272-278
7 p.
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| 1468 |
Quantum control of alignment and orientation of molecules by optimized laser pulses
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Hoki, K
|
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7 p.
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| 1469 |
Quantum control spectroscopy of vibrational modes: Comparison of control scenarios for ground and excited states in β-carotene
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Hauer, Jürgen
|
|
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p. 220-229
10 p.
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| 1470 |
Quantum dynamics of proton-coupled electron transfer in model systems
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Villani, Giovanni
|
|
2004
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1-3 |
p. 309-322
14 p.
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| 1471 |
Quantum dynamics simulations of energy redistribution in HO–SO2
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2010
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9 p.
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| 1472 |
Quantum dynamics through conical intersections in macrosystems: Combining effective modes and time-dependent Hartree
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Basler, Mathias
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1-3 |
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19 p.
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| 1473 |
Quantum efficiency of 1S0 and 3P0,1 levels of Pr3+ doped YF3
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Kück, Stefan
|
|
2005
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1-3 |
p. 139-144
6 p.
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| 1474 |
Quantum hysteresis and resonant tunneling in bistable systems
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p. 61-80
20 p.
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| 1475 |
Quantum interferences and their classical limit in laser driven coherent control scenarios
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2010
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1-10 |
1-3 |
p. 143-150
8 p.
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| 1476 |
Quantum localization, dephasing and vibrational energy flow in a trans-formanilide (TFA)–H2O complex
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Agbo, Johnson K.
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|
2010
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1-10 |
1-3 |
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7 p.
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| 1477 |
Quantum mechanical simulation studies of molecular vibrations and dynamics of oxo-anions in water
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Pribil, Andreas B.
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|
2008
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1-3 |
p. 182-185
4 p.
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artikel
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| 1478 |
Quantum optimal control of HCN isomerization
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Artamonov, Maxim
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Quantum optimal control of ozone isomerization
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Artamonov, Maxim
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| 1480 |
Quantum simulations of toroidal electric ring currents and magnetic fields in linear molecules induced by circularly polarized laser pulses
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Quantum superconductor–metal transition in a 2D proximity-coupled array
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Quantum theory of enhanced unimolecular reaction rates below the ergodicity threshold
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| 1483 |
Quantum transition state theory for dissipative systems
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Quantum wavefunction controllability
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| 1485 |
Quantum yield measurement in the chemical reactions of laser-excited Zn and Rb atoms with molecules
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2010
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| 1486 |
Quasiclassical trajectory calculation of the B++H2→BH++H reaction
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| 1487 |
Quasiclassical trajectory study of the F + H2 system. Rate constants, kinetic isotope effects and energy partitioning among reaction products
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| 1488 |
Quasi-classical trajectory study of the reaction dynamics of Ca(1S0,3P) atoms with CHCl3
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Yao, Li
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| 1489 |
Quasielastic neutron scattering and microscopic dynamics of liquid ethylene glycol
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| 1490 |
Quasielastic neutron scattering measurements of fast process and methyl group dynamics in glassy poly(vinyl acetate)
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| 1491 |
Quasi-particle lifetimes on noble metal surfaces studied by ARPES and STM
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| 1492 |
Quasirelativistic 5f-in-core pseudopotential study of the actinocenes An(C8H8)2, An=Th–Pu
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| 1493 |
Quenching of Li(3P) by CH4, C2H4, C2H6, C3H8
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Swindell II, James Tucker
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2004
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| 1494 |
Radiative lifetimes, diffusion and energy pooling of Sr(5s5p(3P
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| 1495 |
Radiative lifetimes of the A 2Σ+
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3
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Raman optical activity spectra of chiral transition metal complexes
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| 1497 |
Rare gas–iodine complexes in the ion-pair states
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| 1498 |
Rate constant calculations for atom-diatom reactions involving an open shell atom and a molecule in a Π electronic state: Application to the
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Rate description of Fokker–Planck processes with time-periodic parameters
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Reaction cross-section and product polarization in the
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| 1501 |
Reaction dynamics of photochromic dithienylethene derivatives
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| 1502 |
Reaction of N(2D) atoms with bromomethyl radicals: A theoretical study
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Cimas, A.
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| 1503 |
Reaction path dependent coherent wavepacket dynamics in excited state intramolecular double proton transfer
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Stock, Kai
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| 1504 |
Reaction rates when barriers fluctuate: A singular perturbation approach
1
Dedicated to the memory of V.I. Mel'nikov.
1
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Reimann, Peter
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1998
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| 1505 |
Reactions of N+ ions with benzene: a theoretical study on the C6NH6
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Di Stefano, Marco
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2004
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14 p.
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| 1506 |
Reactions of N+ ions with ethylene: a theoretical study on the addition mechanism into the olefin double bond
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Di Stefano, Marco
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2004
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11 p.
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| 1507 |
Reactivity of vinyl chloride ionic clusters
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Martrenchard, S.
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| 1508 |
Real-time observation of vibrational revival in the fastest molecular system
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2006
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| 1509 |
Recognition and characterization of binding modes of Δ- and Λ-[Ru(phen)3]2+ and Δ- and Λ-[Ru(phen)2DPPZ]2+ by the
23
Na
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Marincola, Flaminia Cesare
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| 1510 |
Recombination of atomic oxygen on α-Al2O3 at high temperature under air microwave-induced plasma
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Balat-Pichelin, M.
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| 1511 |
Recombination yield of geminate radical pairs in low magnetic fields – A Green’s function method
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Doktorov, A.B.
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2006
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| 1512 |
Red antenna states of photosystem I from cyanobacterium Synechococcus elongatus: a spectral hole burning study
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2002
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| 1513 |
Red-shifted mutants of green fluorescent protein: reversible photoconversions studied by hole-burning and high-resolution spectroscopy
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2002
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| 1514 |
Reduced-dimensionality quantum reactive scattering calculations of the C(3
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2005
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| 1515 |
Reduced dimensionality quantum reactive scattering calculations on the ab initio potential energy surface for the O(
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2001
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| 1516 |
Reflection-free complex absorbing potential for electronic structure calculations: Feshbach type autoionization resonance of Helium
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| 1517 |
Regge pole representation of the limiting behavior of optically forbidden transitions in atoms and molecules
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| 1518 |
Relation between the OH stretching frequency and the OO distance in time-resolved infrared spectroscopy of hydrogen bonding
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Bratos, Savo
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| 1519 |
Relation of high harmonic spectra to electronic structure in N2
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| 1520 |
Relationship between structure and optical properties in green fluorescent proteins: a quantum mechanical study of the chromophore environment
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| 1521 |
Relativistic and non-relativistic local-density functional, benchmark results and investigation on the dimers
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Kullie, O.
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| 1522 |
Relativistic calculation of the SeH2 and TeH2 photoelectron spectra
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Pernpointner, Markus
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| 1523 |
Relativistic configuration interaction calculations of the potential curves and radiative lifetimes of the low-lying states of bismuth nitride
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| 1524 |
Relativistic effects in K-shell ionizations: SAC-CI general-R study based on the DK2 Hamiltonian
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| 1525 |
Relativistic one-electron Hamiltonians `for electrons only' and the variational treatment of the Dirac equation
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| 1526 |
Relativistic T
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| 1527 |
Relativistic two-component calculations of electronic g-tensor for oxo-molybdenum(V) and oxo-tungsten(V) complexes: The important role of higher-order spin-orbit contributions
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| 1528 |
Relaxation and trapping of excitons in J-aggregates of a thiacarbocynine dye
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| 1529 |
REMPI spectroscopy of internal state populations in HBr+Ar free jets: Rotational relaxation of HBr
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| 1530 |
Renormalization group theory for fluids including critical region. II. Binary mixtures
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Renormalization group theory for fluids including critical region. I. Pure fluids
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Resolutions of the Coulomb operator: II. The Laguerre generator
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| 1533 |
Resonances in the photodissociation of CO2: periodic-orbit and wavepacket analyses
1
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| 1534 |
Resonant ion-dip infrared spectroscopy of benzene–(water)
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| 1535 |
Resonant tow-photon ionization detection of atomic iodine resulting from photodissociation of allyl iodide under vibrational (C-H overtone) excitation
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| 1536 |
Resonant versus off-resonant quantum reaction dynamics in quantum solids: Model simulations for
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H
2
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ClH
2
∗
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| 1537 |
Restricted magnetically balanced basis applied for relativistic calculations of indirect nuclear spin–spin coupling tensors in the matrix Dirac–Kohn–Sham framework
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Retardation effects in the dynamics of open molecular systems
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| 1539 |
Retraction notice to “Neutron scattering and molecular dynamics simulation studies of the phase transition: High-density amorphous ice to low-density amorphous ice” [Chem. Phys. 369 (2010) 8–12]
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Revealing molecular orbital gating by transition voltage spectroscopy
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| 1541 |
Reveal of local symmetry of electron-vibration interactions in fine-structure fluorescence spectra of complex molecules. Amino- and hydroxy-tetrasubstituted anthraquinones
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Reversible chemical reactions in slowly relaxing environments: Kramers' turnover of the rate constant
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Reversible energy quenching and conservation
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| 1544 |
Reversible energy transfer between monomers and fluorescent dimers of rhodamine S in polyvinyl alcohol films
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Reversible mechanical bistability of carbon nanotubes under radial compression
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| 1546 |
Rigidity of the backbone for poly(bis(4-butoxycarbonylphenyl))carbodiimide and poly(bis(4-butylphenyl))carbodiimide studied by solid state
13
C
T
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Lim, Ae Ran
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| 1547 |
Ring current models for acetylene and ethylene molecules
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| 1548 |
RISM study of the structure of sulphur dioxide at a plane wall
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| 1549 |
Role of the local electric field in electro-absorption spectra of molecular crystals
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Role of the reacting free radicals on the antioxidant mechanism of curcumin
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Role of the recoil effect in two-center interference in X-ray photoionization
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Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the
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σ
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Rotational alignment from the reactions
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| 1554 |
Rotational analysis of the (57,0) band of the
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u
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X
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g
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Rotational dynamics of UVITEX-OB in alkanes, alcohols and binary mixtures
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Rotational relaxation of nitrogen in helium
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Rotational spectra and hyperfine structure of isotopic species of deuterated cyanoacetylene, DC3N
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Rotational spectrum and dynamics of tetrahydrofuran–argon
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Rotational spectrum of aminocyclobutane: internal rotation and inversion of the NH2 group in the gauche–equatorial conformer
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Rotational structure of ΔνSi-H=7 and 8 overtone transitions of SiHD3
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Rotation of small clusters in sheared metallic glasses
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Rovibrational dynamics of LiCs dimers in strong electric fields
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Ro-vibronic spectrum of the N2O+ ion in the X 2Π state
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Rydberg basis set effects on ab initio second hyperpolarizabilities of H2, C6H6 and CS2 molecules
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Saddle point avoidance due to inhomogeneous friction
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Scalar and vector properties of RO(A 2Σ+) formed in the VUV photodissociation of R2O2 (R = H, D)
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Scaled ab initio force field of E- and Z-hexatriene in the S0 and T1 states
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Scaled DFT selenium NMR chemical shieldings
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Scaled quantum chemical studies of the structure and vibrational spectra of 2,4-diaminoquinazoline and 4-amino-2-methylquinoline
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Krishnakumar, V.
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Screening of contact absorption by distant energy quenching
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Second-harmonic generation of biological interfaces: probing the membrane protein bacteriorhodopsin and imaging membrane potential around GFP molecules at specific sites in neuronal cells of C. elegans
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Second-order optical effects in several pyrazolo-quinoline derivatives
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Selective preparation of enantiomers from a racemate by laser pulses: model simulation for oriented atropisomers with coupled rotations and torsions
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Selective rovibrational energy transfer: A classical trajectory study of collisional energy redistribution in methyl radical
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Self-assembled nanoscale photomimetic models: structure and related dynamics
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Self-assembly behavior of β-cyclodextrin and imipramine. A Free energy perturbation study
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Self-assembly of diblock copolymers under shear flow: A simulation study by combining the self-consistent field and lattice Boltzmann method
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Self-tunnelling oscillations in non-linear quantum mechanics and the electron-transfer problem
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Semiclassical electron transfer: Zusman equations versus Langevin approach
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Semi-classical implementation of mapping Hamiltonian methods for general non-adiabatic problems
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Semiclassical model for energy transfer in polyatomic molecules. XIII. Biomolecules
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Semiclassical non-Markovian Brownian motion in anharmonic potentials
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Sensitivity of femtosecond quantum dynamics and control with respect to non-adiabatic couplings: Model simulations for the cis–trans isomerization of the dideuterated methaniminium cation
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Sequences of ultrafast non-resonant multiphoton transitions in a three-electronic level molecule
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Several excited states and thermochemical properties of PH
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Shannon information entropy of fractional occupation probability as an electron correlation measure in atoms and molecules
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Shear viscosity of Stockmayer fluid: Application of integral equations method to Vesovic–Wakeham scheme
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Short- and intermediate-range structure in Al(III)-containing gels prepared from Al-nitrate in organic medium
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Short-range density functionals in combination with local long-range ab initio methods: Application to non-bonded complexes
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Short-time maximum entropy method analysis of molecular dynamics simulation: Unimolecular decomposition of formic acid
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Simplified models for anharmonic numbers and densities of vibrational states. II. All the bound states of HO2
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Simplified models for anharmonic numbers and densities of vibrational states. Part III: Resonance states of HO2
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Simulation of cis–trans photoinduced transitions IB bis-Schiff base molecules
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Simulation of the photodetachment spectrum of the pyrrolide anion
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Simulations of quantum computation with a molecular ion
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Simultaneous analysis of rotational and vibrational–rotational spectra of DF and HF to obtain irreducible molecular constants for HF
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Single- and double-photoionization cross-sections of nitrogen dioxide (NO2) and ionic fragmentation of NO2
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Single and double reduction of C60 in 2:1 γ-cyclodextrin/[60]fullerene inclusion complexes by cyclodextrin radicals
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Single conjugated polymer nanoparticle capacitors
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Single-molecule Michaelis–Menten kinetics: Effect of substrate fluctuations
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Single molecule polarization spectroscopy: pentacene in p-terphenyl
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Singlet and triplet excited states of a pyramidalized alkene: Electron-energy-loss spectra, photoelectron spectra, and calculations of the excited states of tricyclo[3.3.3.03,7]undec-3(7)-ene
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Singlet oxygen generation in PUVA therapy studied using electronic structure calculations
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Singlet state energy levels of C2H2+
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Size dependence and effect of potential parameters on properties of nano-cavities in liquid xenon using molecular dynamics simulation
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Slower processes of the ultrafast photo-isomerization of an azobenzene observed by IR spectroscopy
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Small angle X-ray scattering and viscoelastic studies of the molecular shape and colloidal structure of bovine and rat serum albumins in aqueous systems
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Sodium 3-methyl-4-nitrophenolate dihydrate: a crystal engineering route towards new herringbone structures for quadratic non-linear optics
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Solid-state optical properties of the methyl-exopyridine–anthracene rotaxane
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Solvation and electronic spectrum of Ni2+ ion in aqueous and ammonia solutions: A sequential Monte Carlo/TD-DFT study
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Solvent dynamics in a glass-forming liquid from 300K to 3K: What photon echoes can teach us
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Solvent effects on NMR spectrum of acetylene calculated by ab initio methods
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Solvent reorganization energy of electron transfer in weakly polar solvents
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Specific electronic properties of metallic molecules MX, correlated to piezoelectric properties of solids MX
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Spectral and photophysical properties of the δ-carboline anhydrobase (N
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Spectral hole-burning and stark effect: frequency dependence of the induced dipoe moment of a squaraine dye in polymers
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Spectroscopic investigation of vibration–rotation bands in acetaldehyde:
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Spectroscopic measurements of nonequilibrium CO2 plasma in RF torch
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Spectroscopic properties of ethyl 5-(4-dimethylaminophenyl)-3-amino-2,4-dicyanobenzoate
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Spectroscopic properties of K5Li2UF10
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Spectroscopic study of excited state intramolecular charge transfer in ethyl ester of N,N′-Dimethylaminonaphthyl-(acrylic)-acid
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Spectroscopic study of N-acetylcysteine and N-acetylcystine/hydrogen peroxide complexation
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Spin-lattice relaxation in Mössbauer spectra of metmyoglobin: investigation of crystals, water and water-glycerol solutions
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Spinning a pseudorotating molecular top by means of a circularly polarized infrared laser pulse: Quantum simulations for 114CdH2
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S
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Stability of the three tetracoordinated dianions
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Structural and electronic properties of poly(fluorene–vinylene) copolymer and its derivatives: Time-dependent density functional theory investigation
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Structural features responsible for GFPuv and S147P-GFP’s improved fluorescence
|
Baffour-Awuah, Nana Yaa
|
|
2005
|
1-10 |
1-3 |
p. 25-31
7 p.
|
artikel
|
| 1666 |
Structural fluctuations in cross-linked matrices with narrow pore size distribution
|
Paradossi, Gaio
|
|
2004
|
1-10 |
1-3 |
p. 143-148
6 p.
|
artikel
|
| 1667 |
Structural investigation of liquid formic acid by neutron diffraction. II: Isotopic substitution for DCOO[H/D]
|
Bakó, Imre
|
|
2004
|
1-10 |
1-3 |
p. 241-251
11 p.
|
artikel
|
| 1668 |
Structural model and excitonic properties of the dimeric RC–LH1–PufX complex from Rhodobacter sphaeroides
|
Şener, Melih
|
|
2009
|
1-10 |
1-3 |
p. 188-197
10 p.
|
artikel
|
| 1669 |
Structural phase transitions and orientational ordering in C70
|
Vaughan, Gavin B.M.
|
|
1993
|
1-10 |
1-3 |
p. 599-613
15 p.
|
artikel
|
| 1670 |
Structural relaxation in amorphous biphenyl and a new crystalline phase
|
Nakayama, Hideyuki
|
|
1993
|
1-10 |
1-3 |
p. 371-375
5 p.
|
artikel
|
| 1671 |
Structural role of hydrogen bond networks in amino acid–acid systems. (II) The network with weakly polarizable OHO hydrogen bonds in sarcosine–p-toluenesulfonic acid (1:1) crystal
|
Ilczyszyn, M.
|
|
2008
|
1-10 |
1-3 |
p. 57-64
8 p.
|
artikel
|
| 1672 |
Structural role of hydrogen bond networks in amino acid–acid systems. (I) The network with highly polarizable OHO hydrogen bonds in sarcosine–methanesulfonic acid (2:1) crystal
|
Ilczyszyn, Marek
|
|
2008
|
1-10 |
1-3 |
p. 99-105
7 p.
|
artikel
|
| 1673 |
Structural, single-particle and pair dynamical properties of acetone–chloroform mixtures with dissolved solutes
|
Gupta, Rini
|
|
2011
|
1-10 |
1-3 |
p. 41-49
9 p.
|
artikel
|
| 1674 |
Structure and conformational analysis of the anti-HIV AZT 5′-aminocarbonylphosphonate prodrug using DFT methods
|
Tamara Molina, A.
|
|
2011
|
1-10 |
1-3 |
p. 11-24
14 p.
|
artikel
|
| 1675 |
Structure and dynamics of acetate anion-based ionic liquids from molecular dynamics study
|
Chandran, Aneesh
|
|
2010
|
1-10 |
1-3 |
p. 46-54
9 p.
|
artikel
|
| 1676 |
Structure and dynamics of Co2+ in liquid ammonia: ab initio QM/MM molecular dynamics simulation
|
Armunanto, Ria
|
|
2004
|
1-10 |
1-3 |
p. 135-140
6 p.
|
artikel
|
| 1677 |
Structure and dynamics of solvated Ba(II) in dilute aqueous solution – an ab initio QM/MM MD approach
|
Hofer, Thomas S.
|
|
2005
|
1-10 |
1-3 |
p. 81-88
8 p.
|
artikel
|
| 1678 |
Structure and dynamics of the phenol–water–argon cation radical
|
Chapman, Darren M.
|
|
1998
|
1-10 |
1-3 |
p. 417-428
|
artikel
|
| 1679 |
Structure and dynamics of the surfactant molecules in dodecyltrimethylammonium·poly(α,l-glutamate) self-assembled complexes
|
Zanuy, David
|
|
2004
|
1-10 |
1-3 |
p. 85-93
9 p.
|
artikel
|
| 1680 |
Structure and energetics of InN and GaN dimers
|
Šimová, Lucia
|
|
2008
|
1-10 |
1-3 |
p. 98-108
11 p.
|
artikel
|
| 1681 |
Structure and orientation of water molecules at model hydrophobic surfaces with curvature: From graphene sheets to carbon nanotubes and fullerenes
|
Alarcón, L.M.
|
|
2011
|
1-10 |
1-3 |
p. 47-56
10 p.
|
artikel
|
| 1682 |
Structure and polarized IR spectra of 4-isothiocyanatophenyl 4-heptylbenzoate (7TPB)
|
Majewska, Paulina
|
|
2008
|
1-10 |
1-3 |
p. 186-195
10 p.
|
artikel
|
| 1683 |
Structure and properties of non-classical polymers.
|
Dietz, Fritz
|
|
1999
|
1-10 |
1-3 |
p. 255-265
11 p.
|
artikel
|
| 1684 |
Structure and thermal property of N,N-diethyl-N-methyl-N-2-methoxyethyl ammonium tetrafluoroborate-H2O mixtures
|
Imai, Yusuke
|
|
2008
|
1-10 |
1-3 |
p. 224-230
7 p.
|
artikel
|
| 1685 |
Structure of aniline–X (X=Ar,
20
Ne,
22
Ne) from high resolution microwave spectroscopy data
|
Consalvo, D
|
|
1998
|
1-10 |
1-3 |
p. 301-311
11 p.
|
artikel
|
| 1686 |
Structure of molecular association of curdlan at dilute regime in alkaline aqueous systems
|
Tada, Toshio
|
|
1998
|
1-10 |
1-3 |
p. 157-166
10 p.
|
artikel
|
| 1687 |
Structure of poly(di-n-hexylsilane) in nanoporous materials
|
Korotkova, I.
|
|
2010
|
1-10 |
1-3 |
p. 99-103
5 p.
|
artikel
|
| 1688 |
Structures, spectra and photophysics of new organic fluorophores: 2,3- and 2,5-di(phenylethenyl)furan
|
Baraldi, Ivan
|
|
2008
|
1-10 |
1-3 |
p. 163-169
7 p.
|
artikel
|
| 1689 |
Structure, stability, and magnetism of (CoRh)
n
(n
⩽5) alloy clusters: Density-function theory investigations
|
Lv, Jin
|
|
2009
|
1-10 |
1-3 |
p. 65-71
7 p.
|
artikel
|
| 1690 |
Studies on the interaction of diacetylcurcumin with calf thymus-DNA
|
Sahoo, Bijaya Ketan
|
|
2008
|
1-10 |
1-3 |
p. 163-169
7 p.
|
artikel
|
| 1691 |
Studies on the local structures of the substitutional and interstitial Ni3+ centers in rutile
|
Wu, Shao-Yi
|
|
2006
|
1-10 |
1-3 |
p. 26-32
7 p.
|
artikel
|
| 1692 |
Studies on the photodissociation dynamics of HI molecule within the A band range
|
Zhang, Dongfang
|
|
2007
|
1-10 |
1-3 |
p. 119-125
7 p.
|
artikel
|
| 1693 |
Study of isotope effects in the ground state of the symmetrical isotopomers of CuCl2
|
Crozet, P.
|
|
1993
|
1-10 |
1-3 |
p. 505-514
10 p.
|
artikel
|
| 1694 |
Study of photo-induced electron transfer in pyrene-(CH2)
n
-N,N′-dimethylaniline system by molecular dynamic simulation
|
Tanaka, Fumio
|
|
2008
|
1-10 |
1-3 |
p. 242-248
7 p.
|
artikel
|
| 1695 |
Study of positronium hydride with a simple wavefunction: Application to the Stark effect of PsH
|
Le Sech, C.
|
|
1998
|
1-10 |
1-3 |
p. 77-85
9 p.
|
artikel
|
| 1696 |
Study of some known regularities for the hard core one Yukawa and hard core double Yukawa fluids
|
Farzi, Nahid
|
|
2011
|
1-10 |
1-3 |
p. 9-18
10 p.
|
artikel
|
| 1697 |
Study of the N2 b1Πu state via 1 + 1 multiphoton ionization
|
Ubachs, Wim
|
|
1989
|
1-10 |
1-3 |
p. 1-13
|
artikel
|
| 1698 |
Study of the OD EPR phenomena in (COF)2 excited to single rotational levels of the
8
0
1
,
5
0
1
,
7
1
1
8
0
1
and
5
0
1
7
1
1
vibronic states: cluster formation investigated by the OD EPR
|
Makarov, Vladimir I.
|
|
2005
|
1-10 |
1-3 |
p. 11-19
9 p.
|
artikel
|
| 1699 |
Study of two-photon resonant four-wave sum mixing in xenon in the spectral region of 105–110nm
|
Al-Basheer, W.
|
|
2011
|
1-10 |
1-3 |
p. 59-66
8 p.
|
artikel
|
| 1700 |
Study on collisional deactivation of O2(1Δg) by H2 and D2
|
Du, Shuyan
|
|
2011
|
1-10 |
1-3 |
p. 83-85
3 p.
|
artikel
|
| 1701 |
Study on the nature of interaction of pyrrole with various hydrides
|
Wu, Junyong
|
|
2011
|
1-10 |
1-3 |
p. 45-49
5 p.
|
artikel
|
| 1702 |
Subject Index
|
|
|
2009
|
1-10 |
1-3 |
p. 111-113
3 p.
|
artikel
|
| 1703 |
Subject Index
|
|
|
2009
|
1-10 |
1-3 |
p. 198-202
5 p.
|
artikel
|
| 1704 |
Subject Index
|
|
|
2009
|
1-10 |
1-3 |
p. 104-106
3 p.
|
artikel
|
| 1705 |
Subject Index
|
|
|
2009
|
1-10 |
1-3 |
p. 148-150
3 p.
|
artikel
|
| 1706 |
Subject Index
|
|
|
2009
|
1-10 |
1-3 |
p. 179-183
5 p.
|
artikel
|
| 1707 |
Subject Index
|
|
|
2009
|
1-10 |
1-3 |
p. 176-180
5 p.
|
artikel
|
| 1708 |
Subject Index
|
|
|
2010
|
1-10 |
1-3 |
p. 97-99
3 p.
|
artikel
|
| 1709 |
Subject Index
|
|
|
2010
|
1-10 |
1-3 |
p. 306-311
6 p.
|
artikel
|
| 1710 |
Subject Index
|
|
|
2010
|
1-10 |
1-3 |
p. 96-99
4 p.
|
artikel
|
| 1711 |
Subject Index
|
|
|
2010
|
1-10 |
1-3 |
p. 142-145
4 p.
|
artikel
|
| 1712 |
Subject Index
|
|
|
2010
|
1-10 |
1-3 |
p. 146-149
4 p.
|
artikel
|
| 1713 |
Subject Index
|
|
|
2010
|
1-10 |
1-3 |
p. 94-96
3 p.
|
artikel
|
| 1714 |
Subject Index
|
|
|
2010
|
1-10 |
1-3 |
p. 120-123
4 p.
|
artikel
|
| 1715 |
Subject Index
|
|
|
2001
|
1-10 |
1-3 |
p. 451-461
11 p.
|
artikel
|
| 1716 |
Subject Index
|
|
|
2002
|
1-10 |
1-3 |
p. 391-398
8 p.
|
artikel
|
| 1717 |
Subject index
|
|
|
2001
|
1-10 |
1-3 |
p. 295-301
7 p.
|
artikel
|
| 1718 |
Subject index
|
|
|
2004
|
1-10 |
1-3 |
p. 329-337
9 p.
|
artikel
|
| 1719 |
Subject Index
|
|
|
2004
|
1-10 |
1-3 |
p. 337-345
9 p.
|
artikel
|
| 1720 |
Subject index
|
|
|
2004
|
1-10 |
1-3 |
p. 339-347
9 p.
|
artikel
|
| 1721 |
Subject index
|
|
|
2004
|
1-10 |
1-3 |
p. 327-335
9 p.
|
artikel
|
| 1722 |
Subject index
|
|
|
2001
|
1-10 |
1-3 |
p. 359-364
6 p.
|
artikel
|
| 1723 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 295-299
5 p.
|
artikel
|
| 1724 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 363-369
7 p.
|
artikel
|
| 1725 |
Subject Index
|
|
|
2006
|
1-10 |
1-3 |
p. 365-370
6 p.
|
artikel
|
| 1726 |
Subject index
|
|
|
2005
|
1-10 |
1-3 |
p. 327-335
9 p.
|
artikel
|
| 1727 |
Subject Index
|
|
|
2007
|
1-10 |
1-3 |
p. 188-191
4 p.
|
artikel
|
| 1728 |
Subject Index
|
|
|
2007
|
1-10 |
1-3 |
p. 178-181
4 p.
|
artikel
|
| 1729 |
Subject Index
|
|
|
2007
|
1-10 |
1-3 |
p. 357-362
6 p.
|
artikel
|
| 1730 |
Subject Index
|
|
|
2007
|
1-10 |
1-3 |
p. 302-308
7 p.
|
artikel
|
| 1731 |
Subject Index
|
|
|
2007
|
1-10 |
1-3 |
p. 259-264
6 p.
|
artikel
|
| 1732 |
Subject Index
|
|
|
2007
|
1-10 |
1-3 |
p. 318-324
7 p.
|
artikel
|
| 1733 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 547-555
9 p.
|
artikel
|
| 1734 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 231-236
6 p.
|
artikel
|
| 1735 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 353-359
7 p.
|
artikel
|
| 1736 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 222-226
5 p.
|
artikel
|
| 1737 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 171-175
5 p.
|
artikel
|
| 1738 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 255-261
7 p.
|
artikel
|
| 1739 |
Subject Index
|
|
|
2008
|
1-10 |
1-3 |
p. 230-234
5 p.
|
artikel
|
| 1740 |
Subject Index
|
|
|
2004
|
1-10 |
1-3 |
p. 331-341
11 p.
|
artikel
|
| 1741 |
Subject Index
|
|
|
2009
|
1-10 |
1-3 |
p. 243-247
5 p.
|
artikel
|
| 1742 |
Subject index
|
|
|
2004
|
1-10 |
1-3 |
p. 329-337
9 p.
|
artikel
|
| 1743 |
Subject Index
|
|
|
2005
|
1-10 |
1-3 |
p. 339-347
9 p.
|
artikel
|
| 1744 |
Subject Index
|
|
|
2006
|
1-10 |
1-3 |
p. 438-446
9 p.
|
artikel
|
| 1745 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 86-88
3 p.
|
artikel
|
| 1746 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 135-138
4 p.
|
artikel
|
| 1747 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 41-42
2 p.
|
artikel
|
| 1748 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 98-100
3 p.
|
artikel
|
| 1749 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 105-107
3 p.
|
artikel
|
| 1750 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 101-103
3 p.
|
artikel
|
| 1751 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 105-107
3 p.
|
artikel
|
| 1752 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 128-130
3 p.
|
artikel
|
| 1753 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 57-58
2 p.
|
artikel
|
| 1754 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 133-136
4 p.
|
artikel
|
| 1755 |
Subject Index
|
|
|
2011
|
1-10 |
1-3 |
p. 103-105
3 p.
|
artikel
|
| 1756 |
Subject index to volume 184
|
|
|
1994
|
1-10 |
1-3 |
p. 382-391
10 p.
|
artikel
|
| 1757 |
Subject index to volume 191
|
|
|
1995
|
1-10 |
1-3 |
p. 353-361
9 p.
|
artikel
|
| 1758 |
Subject index to volume 195
|
|
|
1995
|
1-10 |
1-3 |
p. 469-480
12 p.
|
artikel
|
| 1759 |
Subject index to volume 213
|
|
|
1996
|
1-10 |
1-3 |
p. 495-506
12 p.
|
artikel
|
| 1760 |
Subject index to volume 211
|
|
|
1996
|
1-10 |
1-3 |
p. 523-534
12 p.
|
artikel
|
| 1761 |
Subject index to volume 178
|
|
|
1993
|
1-10 |
1-3 |
p. 622-635
14 p.
|
artikel
|
| 1762 |
Subject index to volume 137
|
|
|
1989
|
1-10 |
1-3 |
p. 434-445
12 p.
|
artikel
|
| 1763 |
Subject index to volume 127
|
|
|
1988
|
1-10 |
1-3 |
p. 464-476
13 p.
|
artikel
|
| 1764 |
Subject index to volume 130
|
|
|
1989
|
1-10 |
1-3 |
p. 464-475
|
artikel
|
| 1765 |
Sub-picosecond excited-state dynamics of a carotenoid (spirilloxanthin) in the light-harvesting systems of Chromatium vinosum.
|
Okamoto, Hiromi
|
|
1998
|
1-10 |
1-3 |
p. 309-318
10 p.
|
artikel
|
| 1766 |
Subpicosecond studies of the solvation dynamics of fluoroprobe in liquid solution
|
Middelhoek, E.R.
|
|
1996
|
1-10 |
1-3 |
p. 489-497
9 p.
|
artikel
|
| 1767 |
Subsystem dynamics in mixed quantum–classical systems
|
Toutounji, Mohamad
|
|
2001
|
1-10 |
1-3 |
p. 79-89
11 p.
|
artikel
|
| 1768 |
Sum rules for atomic polar and axial tensors from vibronic coupling theory
|
Yang, Danya
|
|
1993
|
1-10 |
1-3 |
p. 147-154
8 p.
|
artikel
|
| 1769 |
Superelastic collisions of electrons with the c
3
Π
u
metastable state in hydrogen dc positive column
|
Amorim, J.
|
|
1999
|
1-10 |
1-3 |
p. 275-282
8 p.
|
artikel
|
| 1770 |
Supersonic jet spectroscopy of S2O
|
Clouthier, Dennis J.
|
|
1988
|
1-10 |
1-3 |
p. 189-196
8 p.
|
artikel
|
| 1771 |
Suppression of quantum coherence: Noise effect
1
Dedicated to the memory of Professor V.I. Mel'nikov.
1
|
Shao, Jiushu
|
|
1998
|
1-10 |
1-3 |
p. 81-92
12 p.
|
artikel
|
| 1772 |
Supramolecular fullerene/porphyrin charge transfer interaction studied by absorption spectrophotometric method
|
Mukherjee, Partha
|
|
2009
|
1-10 |
1-3 |
p. 116-122
7 p.
|
artikel
|
| 1773 |
Supramolecular porphyrin/fullerene interactions studied by spectral methods
|
Łapiński, Andrzej
|
|
2004
|
1-10 |
1-3 |
p. 277-284
8 p.
|
artikel
|
| 1774 |
Surface collective excitations in ultrafast pump-probe spectroscopy of metal nanoparticles
|
Shahbazyan, T.V.
|
|
2000
|
1-10 |
1-3 |
p. 37-49
13 p.
|
artikel
|
| 1775 |
Surface-enhanced Raman scattering of C60 on co-modified substrate of Fe3O4 and Au nanoparticles
|
Hou, Xiaomiao
|
|
2010
|
1-10 |
1-3 |
p. 1-5
5 p.
|
artikel
|
| 1776 |
Surface grooved visible light active carbon modified (CM)-n-TiO2 thin films for efficient photoelectrochemical splitting of water
|
Shaban, Yasser A.
|
|
2007
|
1-10 |
1-3 |
p. 73-85
13 p.
|
artikel
|
| 1777 |
Surface structure for Au on (001) SrTiO3
|
Wang, Jianli
|
|
2009
|
1-10 |
1-3 |
p. 79-84
6 p.
|
artikel
|
| 1778 |
Surface studies of nitrogen implanted TiO2
|
Batzill, Matthias
|
|
2007
|
1-10 |
1-3 |
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| 1871 |
The (Lb)S1
←S0 transition of phenylpropyne and phenylacetylene: an experimental and ab initio study
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Philis, John G.
|
|
2004
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1-10 |
1-3 |
p. 253-263
11 p.
|
artikel
|
| 1872 |
The librational and vibrational spectra of water in natrolite, Na2Al2Si3O10·2H2O compared with ab-initio calculations
|
Line, Christina M.B.
|
|
1998
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1-10 |
1-3 |
p. 207-222
16 p.
|
artikel
|
| 1873 |
The linear mixture rule in chemical kinetics. II. Thermal dissociation of diatomic molecules
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Carruthers, Chris
|
|
1988
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1-10 |
1-3 |
p. 351-362
12 p.
|
artikel
|
| 1874 |
The lowest-lying Rydberg states of Si2: an ab initio study
|
Sefyani, Fouad L.
|
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1995
|
1-10 |
1-3 |
p. 155-163
9 p.
|
artikel
|
| 1875 |
The lowest singlet, triplet, and quintuplet electronic states of SiC
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Borin, Antonio Carlos
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2005
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1-10 |
1-3 |
p. 213-222
10 p.
|
artikel
|
| 1876 |
The lowest valence transitions of 1,1′-bicyclohexylidene and 1,1′;4′,1′-tercyclohexylidene. An ab initio MRDCI study
1
Dedicated to Prof. Dr. S.D. Peyerimhoff on the occasion of her sixtieth birthday.
1
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Havenith, Remco W.A
|
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1997
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1-10 |
1-3 |
p. 139-152
14 p.
|
artikel
|
| 1877 |
The magnetochiral effect and related optical phenomena
|
Wagnière, Georges H.
|
|
1999
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1-10 |
1-3 |
p. 165-173
9 p.
|
artikel
|
| 1878 |
The matrix singularity problem in the time-dependent variational method
|
Kay, Kenneth G.
|
|
1989
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1-10 |
1-3 |
p. 165-175
11 p.
|
artikel
|
| 1879 |
The mechanism of energy transfer in H2O–H2O collisions – a molecular dynamics simulation
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Svedung, Harald
|
|
1998
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1-10 |
1-3 |
p. 189-205
17 p.
|
artikel
|
| 1880 |
The mechanism of nitrogen fluorescence inside a femtosecond laser filament in air
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Xu, H.L.
|
|
2009
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1-10 |
1-3 |
p. 171-175
5 p.
|
artikel
|
| 1881 |
The medium-sized charged
YbSi
n
±
(n
=7–13) clusters: A relativistic computational investigation
|
Zhao, Run-Ning
|
|
2010
|
1-10 |
1-3 |
p. 82-87
6 p.
|
artikel
|
| 1882 |
The modern electron microscope: A cornucopia of chemico-physical insights
|
Thomas, John Meurig
|
|
2011
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1-10 |
1-3 |
p. 1-10
10 p.
|
artikel
|
| 1883 |
The molecular and supramolecular engineering of polymeric electro-optic materials
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Robinson, B.H.
|
|
1999
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1-10 |
1-3 |
p. 35-50
16 p.
|
artikel
|
| 1884 |
The multi-reference retaining the excitation degree perturbation theory: A size-consistent, unitary invariant, and rapidly convergent wavefunction based ab initio approach
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Fink, Reinhold F.
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|
2009
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1-10 |
1-3 |
p. 39-46
8 p.
|
artikel
|
| 1885 |
The nature of the SCF basis set superposition error. Application of the indirect counterpoise method in polyatomic van der Waals molecules
|
Tolosa, S.
|
|
1988
|
1-10 |
1-3 |
p. 65-71
7 p.
|
artikel
|
| 1886 |
The Neel point for spin-transition systems: toward a two-step transition
|
Bolvin, Hélène
|
|
1996
|
1-10 |
1-3 |
p. 101-114
14 p.
|
artikel
|
| 1887 |
The Ne-Ne interatomic potential revisited
|
Aziz, Ronald A.
|
|
1989
|
1-10 |
1-3 |
p. 187-194
|
artikel
|
| 1888 |
The noncoincidence effect in N,N-dimethylformamide - a comparison of theoretical predictions and experimental results
|
Shelley, Vivian M.
|
|
1989
|
1-10 |
1-3 |
p. 277-280
4 p.
|
artikel
|
| 1889 |
The nonlinear stretching model of hydrogen bonds and local self-fluctuation of base rotation in DNA
|
Zhang, Chun-Ting
|
|
1995
|
1-10 |
1-3 |
p. 17-23
7 p.
|
artikel
|
| 1890 |
The optimal binding sites of CH4 and CO2 molecules on the metal-organic framework MOF-5: ONIOM calculations
|
Pianwanit, Atchara
|
|
2008
|
1-10 |
1-3 |
p. 77-82
6 p.
|
artikel
|
| 1891 |
Theoretical analysis of Franck-Condon and vibronic activity of the ag and b3g modes in the S0↔ S1 transitions in anthracene
|
Zerbetto, Francesco
|
|
1988
|
1-10 |
1-3 |
p. 17-29
13 p.
|
artikel
|
| 1892 |
Theoretical analysis of the gas-phase hydration of common atmospheric pre-nucleation
(
HSO
4
-
)
(
H
2
O
)
n
and (H3O+)(H2SO4)(H2O)
n
cluster ions
|
Nadykto, Alexey B.
|
|
2009
|
1-10 |
1-3 |
p. 67-73
7 p.
|
artikel
|
| 1893 |
Theoretical and experimental investigation of novel iron(II)-based spin crossover compounds
|
Respondek, Inga
|
|
2008
|
1-10 |
1-3 |
p. 514-522
9 p.
|
artikel
|
| 1894 |
Theoretical and experimental report on the determination of oxidation potentials of dihydroxyanthracene and thioxanthens derivatives
|
Riahi, Siavash
|
|
2007
|
1-10 |
1-3 |
p. 33-38
6 p.
|
artikel
|
| 1895 |
Theoretical and experimental studies of radiative lifetimes of excited electronic states in CO+
|
Marian, C.M.
|
|
1989
|
1-10 |
1-3 |
p. 361-370
|
artikel
|
| 1896 |
Theoretical and spectroscopic study of hydrogen bond vibrations in imidazole and its deuterated derivative
|
Wójcik, Marek J.
|
|
2010
|
1-10 |
1-3 |
p. 72-81
10 p.
|
artikel
|
| 1897 |
Theoretical calculation of atmospheric reactions. The case of CH3–CH
x
OH(CH3)1−
x
–CH
y
(CH3)3−
y
, (x
=1,0; y
=2,1)+Cl
|
Garzón, Andrés
|
|
2009
|
1-10 |
1-3 |
p. 132-140
9 p.
|
artikel
|
| 1898 |
Theoretical calculations of the quartet potential energy surfaces in the NH+ + H2 system
|
Polák, Rudolf
|
|
1993
|
1-10 |
1-3 |
p. 245-253
9 p.
|
artikel
|
| 1899 |
Theoretical calculations on radiative and nonradiative processes of quartet states of HeH
|
Petsalakis, I.D.
|
|
1989
|
1-10 |
1-3 |
p. 211-218
|
artikel
|
| 1900 |
Theoretical description of copper Cu(I)/Cu(II) complexes in mixed ammine-aqua environment. DFT and ab initio quantum chemical study
|
Pavelka, Matěj
|
|
2005
|
1-10 |
1-3 |
p. 193-204
12 p.
|
artikel
|
| 1901 |
Theoretical description of the NEXAFS Cl 1s and 2p spectra of ClF and ClF3
|
Fronzoni, G.
|
|
1999
|
1-10 |
1-3 |
p. 127-145
19 p.
|
artikel
|
| 1902 |
Theoretical electronic structure including spin–orbit effects of the alkali dimer cation
Cs
2
+
|
Jraij, A.
|
|
2005
|
1-10 |
1-3 |
p. 145-151
7 p.
|
artikel
|
| 1903 |
Theoretical evaluation of structural and various associated properties of Al–Si melts
|
Mishra, Raj Kumar
|
|
2008
|
1-10 |
1-3 |
p. 112-117
6 p.
|
artikel
|
| 1904 |
Theoretical force-field model for blue-shifted hydrogen bonds with fluoromethanes
|
Kryachko, Eugene S.
|
|
2006
|
1-10 |
1-3 |
p. 313-328
16 p.
|
artikel
|
| 1905 |
Theoretical infrared spectral density of H-bonds in liquid and gas phases: Anharmonicities and dampings effects
|
Rekik, Najeh
|
|
2008
|
1-10 |
1-3 |
p. 65-76
12 p.
|
artikel
|
| 1906 |
Theoretical investigation of collision induced dissociation in He + Na2
|
Sakimoto, Kazuhiro
|
|
1998
|
1-10 |
1-3 |
p. 167-179
13 p.
|
artikel
|
| 1907 |
Theoretical investigation of potential energy surfaces relevant for excited-state hydrogen transfer in o-hydroxybenzaldehyde
|
Sobolewski, Andrzej L.
|
|
1994
|
1-10 |
1-3 |
p. 115-124
10 p.
|
artikel
|
| 1908 |
Theoretical investigation of the dipole polarisability and second hyperpolarisability of cyclopentadiene homologues C4H4XH2 (X=C, Si, Ge, Sn)
|
Alparone, A
|
|
2004
|
1-10 |
1-3 |
p. 75-86
12 p.
|
artikel
|
| 1909 |
Theoretical investigation of the effects of intramolecular electron-spin relaxation on Stern-Gerlach deflections
|
Herrick, D.R.
|
|
1989
|
1-10 |
1-3 |
p. 201-209
|
artikel
|
| 1910 |
Theoretical investigation of the germanium arsenides
|
Prascher, Brian P.
|
|
2008
|
1-10 |
1-3 |
p. 209-220
12 p.
|
artikel
|
| 1911 |
Theoretical investigation of the mode-specific induced non-radiative decay in 2-pyridone
|
Barbatti, Mario
|
|
2008
|
1-10 |
1-3 |
p. 278-286
9 p.
|
artikel
|
| 1912 |
Theoretical investigation of the structure and the electron-vibrational dynamics of 9,9′-spirobifluorene
|
Lukeš, Vladimir
|
|
2008
|
1-10 |
1-3 |
p. 226-233
8 p.
|
artikel
|
| 1913 |
Theoretical investigation on properties of the ground and lowest excited states of a red emitter with donor-π-acceptor structure
|
Liu, Xiaojun
|
|
2011
|
1-10 |
1-3 |
p. 100-104
5 p.
|
artikel
|
| 1914 |
Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage
|
Venkataramanan, Natarajan Sathiyamoorthy
|
|
2010
|
1-10 |
1-3 |
p. 54-59
6 p.
|
artikel
|
| 1915 |
Theoretical investigations of the C–X/π interactions between benzene and some model halocarbons
|
Lu, Yun-Xiang
|
|
2007
|
1-10 |
1-3 |
p. 1-7
7 p.
|
artikel
|
| 1916 |
Theoretical investigations of the electronic spectra of ZnCH3. Analysis of spin-orbit coupling and Jahn-Teller effect
|
Jamorski, Ch.
|
|
1993
|
1-10 |
1-3 |
p. 39-46
8 p.
|
artikel
|
| 1917 |
Theoretical investigations of the hyperfine interactions for Co2+ in the fluoroperovskites
|
Wu, Shao-Yi
|
|
2008
|
1-10 |
1-3 |
p. 199-202
4 p.
|
artikel
|
| 1918 |
Theoretical investigations on model ternary polypeptides using genetic algorithm—Some new results
|
Arora, Vinita
|
|
2011
|
1-10 |
1-3 |
p. 113-120
8 p.
|
artikel
|
| 1919 |
Theoretical simulations of dynamics of excess electron attachment to acetonitrile clusters
|
Takayanagi, Toshiyuki
|
|
2004
|
1-10 |
1-3 |
p. 85-93
9 p.
|
artikel
|
| 1920 |
Theoretical spectroscopy on K
–2, K
–1
L
–1, and L
–2 double core hole states of SiX4 (X=H, F, Cl, and CH3) molecules
|
Takahashi, Osamu
|
|
2011
|
1-10 |
1-3 |
p. 28-35
8 p.
|
artikel
|
| 1921 |
Theoretical studies of the electronic spectrum of SiF2
|
Cai, Z.-L.
|
|
1993
|
1-10 |
1-3 |
p. 215-221
7 p.
|
artikel
|
| 1922 |
Theoretical studies of uracil–(H2O)
n
(n
=1–7) clusters by ab initio and ABEEMσπ/MM fluctuating charge model
|
Wang, Fang-Fang
|
|
2009
|
1-10 |
1-3 |
p. 141-149
9 p.
|
artikel
|
| 1923 |
Theoretical studies on carbonyl halide–water complexes
|
Tanaka, Nobuaki
|
|
2004
|
1-10 |
1-3 |
p. 25-34
10 p.
|
artikel
|
| 1924 |
Theoretical studies on the electronic spectrum of selenium dioxide. Comparison with ozone and sulfur dioxide
|
Grein, Friedrich
|
|
2009
|
1-10 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 1925 |
Theoretical studies on the mechanism and dynamics of the H-abstraction for NCO with C3H8 reaction
|
Tang, Yi-Zhen
|
|
2008
|
1-10 |
1-3 |
p. 195-198
4 p.
|
artikel
|
| 1926 |
Theoretical study of chemosensor for fluoride and phosphate anions and optical properties of the derivatives of 2-(2-hydroxyphenyl)-1,3,4-oxadiazole
|
Jin, Ruifa
|
|
2011
|
1-10 |
1-3 |
p. 17-23
7 p.
|
artikel
|
| 1927 |
Theoretical study of C−H⋯H−B dihydrogen bonded complexes between inert molecules FNgCCH (Ng=Ar and Kr) and borane-amines
|
Singh, Prashant Chandra
|
|
2011
|
1-10 |
1-3 |
p. 96-101
6 p.
|
artikel
|
| 1928 |
Theoretical study of H-abstraction reaction of C2H5OH with NCO
|
Tang, Yizhen
|
|
2007
|
1-10 |
1-3 |
p. 119-124
6 p.
|
artikel
|
| 1929 |
Theoretical study of hyperfine coupling constants of uracil, cytosine and their halogenated derivatives in triplet state
|
Hou, Xin-Juan
|
|
2005
|
1-10 |
1-3 |
p. 1-9
9 p.
|
artikel
|
| 1930 |
Theoretical study of interactions among surface defects by He scattering technique: the reason for the failure of the cross section geometric overlap hypothesis
|
Petrella, Giuseppe
|
|
1995
|
1-10 |
1-3 |
p. 203-212
10 p.
|
artikel
|
| 1931 |
Theoretical study of lanthanide mono cation-mediated C–F bond activation
|
Matsuda, Aya
|
|
2011
|
1-10 |
1-3 |
p. 48-53
6 p.
|
artikel
|
| 1932 |
Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4
|
Duan, Mei-Ling
|
|
2007
|
1-10 |
1-3 |
p. 175-179
5 p.
|
artikel
|
| 1933 |
Theoretical study of noncovalent interactions between triple bonds and chlorine atoms in complexes of acetylene and some chloromethanes
|
Tomura, Masaaki
|
|
2009
|
1-10 |
1-3 |
p. 126-131
6 p.
|
artikel
|
| 1934 |
Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO
|
Polák, R.
|
|
2008
|
1-10 |
1-3 |
p. 83-90
8 p.
|
artikel
|
| 1935 |
Theoretical study of orientation-dependent multiphoton ionization of polyatomic molecules in intense ultrashort laser fields: A new time-dependent Voronoi-cell finite difference method
|
Son, Sang-Kil
|
|
2009
|
1-10 |
1-3 |
p. 91-102
12 p.
|
artikel
|
| 1936 |
Theoretical study of spectroscopic properties of cubane
|
Galasso, V.
|
|
1994
|
1-10 |
1-3 |
p. 107-114
8 p.
|
artikel
|
| 1937 |
Theoretical study of stereodynamics for the O(1D)+D2
→OD+D reaction
|
Hou, Chun-Yuan
|
|
2009
|
1-10 |
1-3 |
p. 64-68
5 p.
|
artikel
|
| 1938 |
Theoretical study of structure and electronic properties of cyano-substituted pyrroles
|
Rimarčík, Ján
|
|
2008
|
1-10 |
1-3 |
p. 177-184
8 p.
|
artikel
|
| 1939 |
Theoretical study of the contribution of vibrational motions to nuclear shielding constants
|
Sabzyan, Hassan
|
|
2008
|
1-10 |
1-3 |
p. 297-305
9 p.
|
artikel
|
| 1940 |
Theoretical study of the ethylene radical cation: geometry and hyperfine structure
|
Salhi-Benachenhou, Nessima
|
|
1998
|
1-10 |
1-3 |
p. 53-61
9 p.
|
artikel
|
| 1941 |
Theoretical study of the excitation spectrum of azomethane
|
Szalay, Péter G.
|
|
2011
|
1-10 |
1-3 |
p. 9-16
8 p.
|
artikel
|
| 1942 |
Theoretical study of the H+Br2 and Mu+Br2 reactions: A new ab initio potential energy surface and quantum dynamics calculations
|
Takayanagi, Toshiyuki
|
|
2007
|
1-10 |
1-3 |
p. 109-116
8 p.
|
artikel
|
| 1943 |
Theoretical study of the influence of para- and meta-substituents on X-pyridine⋯HF hydrogen bonding
|
Ebrahimi, Ali
|
|
2007
|
1-10 |
1-3 |
p. 85-92
8 p.
|
artikel
|
| 1944 |
Theoretical study of the influence of ribose on the proton transfer phenomenon of nucleic acid bases
|
Zhang, Liqun
|
|
2007
|
1-10 |
1-3 |
p. 110-118
9 p.
|
artikel
|
| 1945 |
Theoretical study of the lowest potential energy surfaces for the reaction O(3P) + HBr(X 1∑+) → OH(X 2Π) + Br(2P)
|
Urban, Jan
|
|
1993
|
1-10 |
1-3 |
p. 279-286
8 p.
|
artikel
|
| 1946 |
Theoretical study of the magnetic exchange interaction in catena-μ-Tris[oxalato(2-)-O1,O2;O3,O4]-dicopper complex with interlocked helical chains
|
Negodaev, Igor
|
|
2011
|
1-10 |
1-3 |
p. 109-115
7 p.
|
artikel
|
| 1947 |
Theoretical study of the mono- and di-hydrated divalent ions of the first-row transition metals
|
Åkesson, Ralf
|
|
1994
|
1-10 |
1-3 |
p. 85-95
11 p.
|
artikel
|
| 1948 |
Theoretical study of the photophysics of SF5CF3
|
Masiak, Paweł
|
|
2005
|
1-10 |
1-3 |
p. 169-176
8 p.
|
artikel
|
| 1949 |
Theoretical study of the singlet and triplet vertical electronic transitions of styrene by the symmetry adapted cluster-configuration interaction method
|
Wan, Jian
|
|
2004
|
1-10 |
1-3 |
p. 125-134
10 p.
|
artikel
|
| 1950 |
Theoretical study of the size confinement effect in linear π-conjugated oligomers
|
Bednarz, Mariusz
|
|
2007
|
1-10 |
1-3 |
p. 191-200
10 p.
|
artikel
|
| 1951 |
Theoretical study of the stereodynamics of the reactions O(1D)+H2, D2 and HD
|
Liu, Yufang
|
|
2009
|
1-10 |
1-3 |
p. 46-50
5 p.
|
artikel
|
| 1952 |
Theoretical study of the stereodynamics of the reactions of D−
+H2
→H−
+HD and H−
+D2
→D−
+HD
|
Li, Wen Liang
|
|
2007
|
1-10 |
1-3 |
p. 93-98
6 p.
|
artikel
|
| 1953 |
Theoretical study of triplet state properties of free-base porphin
|
Loboda, Oleksandr
|
|
2005
|
1-10 |
1-3 |
p. 299-309
11 p.
|
artikel
|
| 1954 |
Theoretical study on microhydration of
NO
3
-
ion: Structure and polarizability
|
Pathak, Arup Kumar
|
|
2011
|
1-10 |
1-3 |
p. 52-56
5 p.
|
artikel
|
| 1955 |
Theoretical study on the reaction mechanisms of CH2SH+NO reaction
|
Zhan, Peiying
|
|
2009
|
1-10 |
1-3 |
p. 53-58
6 p.
|
artikel
|
| 1956 |
Theoretical study on the reaction of the 2Δ ground state of TiS+ with COS in the gas phase
|
Gao, Shu-Lin
|
|
2005
|
1-10 |
1-3 |
p. 187-192
6 p.
|
artikel
|
| 1957 |
Theoretical study on the [Si, C, P, S] potential energy surface
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Li, Fei
|
|
2008
|
1-10 |
1-3 |
p. 113-121
9 p.
|
artikel
|
| 1958 |
Theoretical study TPA properties of a series of two-dimensional charge-transfer derivatives
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Zhou, Yu-fang
|
|
2001
|
1-10 |
1-3 |
p. 441-445
5 p.
|
artikel
|
| 1959 |
Theoretical treatment of state-selective one-electron capture by S3+ ions in collisions with helium
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Bacchus-Montabonel, M.C
|
|
1998
|
1-10 |
1-3 |
p. 181-184
4 p.
|
artikel
|
| 1960 |
Theoretical treatment of the electronic excited states of the DMSO molecule: A challenge for current theoretical methods
|
Bodo, E.
|
|
2010
|
1-10 |
1-3 |
p. 136-141
6 p.
|
artikel
|
| 1961 |
The orientation of the transition dipole moments of TMA-DPH embedded in a poly(vinylalcohol) film
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Muller, Johan M.
|
|
1996
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1-3 |
p. 413-420
8 p.
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artikel
|
| 1962 |
Theory of excitation energy transfer in the primary processes of photosynthesis I. General results
|
Skala, L.
|
|
1989
|
1-10 |
1-3 |
p. 77-92
16 p.
|
artikel
|
| 1963 |
Theory of excitation energy transfer in the primary processes of photosynthesis. II. Group symmetry analysis of the bacterial light-harvesting complex
|
Skala, L.
|
|
1989
|
1-10 |
1-3 |
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