nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1001 |
Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
|
Miertuš, S. |
|
1981 |
1-10 |
1 |
p. 117-129 13 p. |
artikel |
1002 |
Electrostatic interactions within helical structures of chiral lipid bilayers
|
Chappell, J.S. |
|
1991 |
1-10 |
1 |
p. 73-79 7 p. |
artikel |
1003 |
Electrostatic potentials in periodic boundary conditions
|
Hoskins, C.S. |
|
1976 |
1-10 |
1 |
p. 33-41 9 p. |
artikel |
1004 |
Electrostatic solvation energy in electrolyte solutions: A self-consistent inhomogeneous continuum model
|
Raudino, Antonio |
|
1987 |
1-10 |
1 |
p. 77-84 8 p. |
artikel |
1005 |
Elementary reactions of electronically excited N2 in the A 3Σu
+ state with H2 and NH3
|
Hack, W. |
|
1988 |
1-10 |
1 |
p. 111-124 14 p. |
artikel |
1006 |
Emission band shape probes of the mixed-valence excited state properties of polypyridyl-bridged bis-ruthenium(II) complexes
|
Chen, Yuan-Jang |
|
2006 |
1-10 |
1 |
p. 79-96 18 p. |
artikel |
1007 |
Emission cross sections of balmer-α,β,γ radiation for electrons (0–2000 eV) on H2 and D2
|
Möhlmann, G.R. |
|
1977 |
1-10 |
1 |
p. 103-116 14 p. |
artikel |
1008 |
Emission cross sections of HCl+ (A2Σ+, υ′ → X2Πi, υ″) for electrons on HCl and lifetimes of the HCl+ (A2Σ+, υ′) states
|
Möhlmann, G.R. |
|
1977 |
1-10 |
1 |
p. 127-134 8 p. |
artikel |
1009 |
Emission of radiation due to ionization and dissociation of N2O by electron impact
|
van Sprang, H.A. |
|
1978 |
1-10 |
1 |
p. 65-72 8 p. |
artikel |
1010 |
Emission spectra of the radical cations of diacetylene (Ã2Πu→X̃2Πg), triacetylene (Ã2Πg→X̃2Πu), and tetraacetylene (Ã2Πu→X̃2Πg,O0
0), and the lifetimes of some vibronic levels of the à states
|
Allan, Michael |
|
1976 |
1-10 |
1 |
p. 11-18 8 p. |
artikel |
1011 |
Emission spectra produced from thermal energy charge transfer reactions of Ar+ ions with CS and PN radicals
|
Obase, Hiroshi |
|
1984 |
1-10 |
1 |
p. 93-99 7 p. |
artikel |
1012 |
Emission spectroscopic and ODMR studies of the lowest excited triplet state of dichlorophenylborane
|
Slama, H. |
|
1985 |
1-10 |
1 |
p. 91-96 6 p. |
artikel |
1013 |
Empirical intermolecular potential from depolarized interaction-induced light scattering spectra for tetrafluoromethane
|
Kader, Mohamed Sayed Abdel |
|
2002 |
1-10 |
1 |
p. 49-60 12 p. |
artikel |
1014 |
Empty levels probed by XAS and ETS in cyclic polymethylene sulfides (CH2)
n
S, n=2,3,4,5
|
Dezarnaud-Dandine, C |
|
2001 |
1-10 |
1 |
p. 105-112 8 p. |
artikel |
1015 |
Endor, triple resonance and electron spin echo envelope modulation of 14N in sulphur and selenium coordinated copper(II) complexes
|
Böttcher, R. |
|
1986 |
1-10 |
1 |
p. 145-157 13 p. |
artikel |
1016 |
Endothermic reactions of Ni+ with H2, HD and D2
|
Armentrout, P.B. |
|
1980 |
1-10 |
1 |
p. 37-43 7 p. |
artikel |
1017 |
Energy balance and branching ratios for the chemiluminescent SiNO2 reaction: Formation of SiO a3Σ+, ν′ ⩾ 0, and ultrafast a3Σ+ −b3Π EE energy transfer
|
Woodward, R. |
|
1985 |
1-10 |
1 |
p. 153-169 17 p. |
artikel |
1018 |
Energy dependence of reaction cross sections at high energy
|
Eu, Byung Chan |
|
1974 |
1-10 |
1 |
p. 95-106 12 p. |
artikel |
1019 |
Energy dependence of resonant charge transfer from adsorbates to metal substrates
|
Föhlisch, A. |
|
2003 |
1-10 |
1 |
p. 107-115 9 p. |
artikel |
1020 |
Energy dependence of rotational and vibrational distributions of N2(C) for the Ar*(3P0,2) + N2(X) excitation transfer reaction
|
van Vliembergen, E.J.W. |
|
1987 |
1-10 |
1 |
p. 117-136 20 p. |
artikel |
1021 |
Energy derivative method in MRD CI calculation of rovibrational dependence of nuclear quadrupole coupling constants of diatomic molecules. Application to 7Li2H in the X 1∑+ and A 1∑+ states
|
Vojtík, J. |
|
1993 |
1-10 |
1 |
p. 37-45 9 p. |
artikel |
1022 |
Energy disposal in the photodissociation HCN(Ã1A″) → H + CN(X 2Σ) at 193 nm
|
Eng, R. |
|
1987 |
1-10 |
1 |
p. 119-130 12 p. |
artikel |
1023 |
Energy dissipation and relaxation processes in deoxy myoglobin after photoexcitation in the Soret region
|
Kholodenko, Y. |
|
2000 |
1-10 |
1 |
p. 71-87 17 p. |
artikel |
1024 |
Energy dissipation asymmetry in the non equilibrium folding/unfolding of the single molecule alanine decapeptide
|
Procacci, Piero |
|
2010 |
1-10 |
1 |
p. 8-15 8 p. |
artikel |
1025 |
Energy distribution among reaction products. XIII. H + XF → HF + X (X = Br, I)
|
Brandt, D. |
|
1980 |
1-10 |
1 |
p. 65-84 20 p. |
artikel |
1026 |
Energy exchange in a coherently coupled ensemble
|
Brenner, H.C. |
|
1978 |
1-10 |
1 |
p. 137-164 28 p. |
artikel |
1027 |
Energy migration in a nearly one-dimensional compound, tetramethyl ammonium manganese chloride (TMMC)
|
Yamamoto, Hajime |
|
1977 |
1-10 |
1 |
p. 79-87 9 p. |
artikel |
1028 |
Energy partitioning in the reaction O(1D) + H2O → OH + OH. V. Rotational relaxation of OH(X2Π, ν″, J″)
|
Gericke, K.-H. |
|
1982 |
1-10 |
1 |
p. 113-121 9 p. |
artikel |
1029 |
Energy relaxation in complex molecules probed by burning dynamics of persistent holes
|
Osad'ko, I.S. |
|
1988 |
1-10 |
1 |
p. 125-134 10 p. |
artikel |
1030 |
Energy selection experiments: The total phosphorescence spectrum of 1,4-diazatriphenylene
|
Suter, Georg W. |
|
1988 |
1-10 |
1 |
p. 131-137 7 p. |
artikel |
1031 |
Energy spectra and magnetic properties of radialenes, dendralenes and their poly-radical ions. A new class of polaronic high-spin π-systems
|
Tyutyulkov, N. |
|
1994 |
1-10 |
1 |
p. 83-97 15 p. |
artikel |
1032 |
Energy spectra of the poly[peri-acene]s: analytical solution of the LCAO MO problem
|
Tyutyulkov, N. |
|
1992 |
1-10 |
1 |
p. 55-58 4 p. |
artikel |
1033 |
Energy spectrum of molecular clusters
|
Zagainova, L.I. |
|
1980 |
1-10 |
1 |
p. 65-70 6 p. |
artikel |
1034 |
Energy–time Wigner representation of density matrix and feature states in sequential intramolecular vibrational energy re-distribution
|
Kanai, Masahiro |
|
2002 |
1-10 |
1 |
p. 61-70 10 p. |
artikel |
1035 |
Energy transfer and differential scattering for ion-pair formation in Na, K, Cs+I2 collisions
|
Aten, J.A. |
|
1977 |
1-10 |
1 |
p. 125-134 10 p. |
artikel |
1036 |
Energy transfer and exciton self-trapping in the charge-transfer crystal naphthalene-tetracyanobenzene
|
Betz, E. |
|
1988 |
1-10 |
1 |
p. 73-81 9 p. |
artikel |
1037 |
Energy transfer as a function of collision energy. I Collision partners: Hydrogen halides + inert gases, hydrogen halides, H2S and propane
|
Ding, A.M.G. |
|
1975 |
1-10 |
1 |
p. 39-49 11 p. |
artikel |
1038 |
Energy transfer in a ladder-type methyl-poly(para-phenylene) doped by Pt(II)octaethylporphyrin
|
Bagnich, S.A. |
|
2004 |
1-10 |
1 |
p. 11-16 6 p. |
artikel |
1039 |
Energy transfer in classical collinear and perpendicular central collisions of a structureless atom with a morse oscillator
|
Faubel, Manfred |
|
1974 |
1-10 |
1 |
p. 36-44 9 p. |
artikel |
1040 |
Energy transfer in collisions of small gas phase clusters. Comparison of molecular dynamics and statistical limit estimates
|
Ming, Liu |
|
1995 |
1-10 |
1 |
p. 121-140 20 p. |
artikel |
1041 |
Energy transfer in one-dimensional substitutionally disordered systems. II. Experimental reresults for 1, 2, 4, 5-tetrachlorobenzene
|
Zwemer, D.A. |
|
1979 |
1-10 |
1 |
p. 139-145 7 p. |
artikel |
1042 |
Energy transfer processes and surface corrugation: A combined collision dynamics and experimental study of the Xe—GaSe(001) system
|
Iannotta, S. |
|
1995 |
1-10 |
1 |
p. 133-144 12 p. |
artikel |
1043 |
Energy transfer processes in reactions of He(2 3S) and Ne(3P0,2) with CS2
|
Yencha, Andrew J. |
|
1980 |
1-10 |
1 |
p. 127-137 11 p. |
artikel |
1044 |
Energy-transfer reactions between He(2 3S) and Ne(3P0.2) metastable atoms and PN radicals
|
Obase, Hiroshi |
|
1983 |
1-10 |
1 |
p. 89-95 7 p. |
artikel |
1045 |
Enhancement of positronium formation in some nonpolar liquids caused by scavenging of the highly mobile positive holes
|
Levay, B. |
|
1980 |
1-10 |
1 |
p. 97-104 8 p. |
artikel |
1046 |
EOM/Propagator ionization potentials: Extension of the excitation operator manifold
|
Baker, Jon |
|
1983 |
1-10 |
1 |
p. 117-128 12 p. |
artikel |
1047 |
EPR investigations of Mn2+ in MK2(SO4)2-6H2O Tutton salt single crystals
|
Saraswat, R.S. |
|
1977 |
1-10 |
1 |
p. 97-103 7 p. |
artikel |
1048 |
EPR spectroscopic studies in (30−
x) Li2O–xK2O–10CdO–59B2O3–1MnO2 multi-component glass system
|
Gangapur, P. |
|
2012 |
1-10 |
1 |
p. 17-20 4 p. |
artikel |
1049 |
EPR-study of a photochemical hydrogen transfer reaction in phenazine doped fluorene crystals
|
Furrer, R. |
|
1979 |
1-10 |
1 |
p. 1-7 7 p. |
artikel |
1050 |
EPR Study of Cu(L-ILE)2, a copper-amino acid salt
|
Calvo, R. |
|
1985 |
1-10 |
1 |
p. 89-99 11 p. |
artikel |
1051 |
EPR study of low spin domains formation in the process of spin transition in Na[Fe(Th-Sa)2]
|
Zelentsov, V.V |
|
2004 |
1-10 |
1 |
p. 15-26 12 p. |
artikel |
1052 |
Equilibrium and nonequilibrium steady states in the reversible Oregonator model
|
|
|
1993 |
1-10 |
1 |
p. 155-156 2 p. |
artikel |
1053 |
Equilibrium structure and hyprfine parameters of the ethane cation
|
Huang, Ming-Bao |
|
1990 |
1-10 |
1 |
p. 85-90 6 p. |
artikel |
1054 |
Equilibrium trap-controlled and hopping transport of polarons in disordered materials
|
Arkhipov, V.I. |
|
2003 |
1-10 |
1 |
p. 51-55 5 p. |
artikel |
1055 |
Equivalence of faddeev-type equations to coupled-channels equations for reactive scattering
|
Diestler, D.J. |
|
1974 |
1-10 |
1 |
p. 151-156 6 p. |
artikel |
1056 |
Er3+ as marker for order–disorder determination in the PbTiO3 system
|
Paris, E.C. |
|
2007 |
1-10 |
1 |
p. 7-14 8 p. |
artikel |
1057 |
Erratum
|
|
|
1979 |
1-10 |
1 |
p. 159- 1 p. |
artikel |
1058 |
Erratum
|
|
|
1993 |
1-10 |
1 |
p. 187- 1 p. |
artikel |
1059 |
Erratum
|
|
|
1991 |
1-10 |
1 |
p. 137- 1 p. |
artikel |
1060 |
Erratum
|
|
|
1991 |
1-10 |
1 |
p. 156- 1 p. |
artikel |
1061 |
Erratum
|
|
|
1991 |
1-10 |
1 |
p. 197- 1 p. |
artikel |
1062 |
Erratum
|
|
|
1999 |
1-10 |
1 |
p. 111- 1 p. |
artikel |
1063 |
Erratum
|
|
|
1988 |
1-10 |
1 |
p. 168- 1 p. |
artikel |
1064 |
Erratum
|
|
|
1988 |
1-10 |
1 |
p. 161- 1 p. |
artikel |
1065 |
Erratum
|
|
|
1990 |
1-10 |
1 |
p. 219-220 2 p. |
artikel |
1066 |
Erratum
|
|
|
1990 |
1-10 |
1 |
p. 146- 1 p. |
artikel |
1067 |
Erratum
|
|
|
1989 |
1-10 |
1 |
p. 172- 1 p. |
artikel |
1068 |
Erratum
|
|
|
1989 |
1-10 |
1 |
p. 150-152 3 p. |
artikel |
1069 |
Erratum
|
|
|
1989 |
1-10 |
1 |
p. 161- 1 p. |
artikel |
1070 |
Erratum
|
|
|
1988 |
1-10 |
1 |
p. 161- 1 p. |
artikel |
1071 |
Erratum
|
|
|
1985 |
1-10 |
1 |
p. 166- 1 p. |
artikel |
1072 |
Erratum
|
|
|
1990 |
1-10 |
1 |
p. 207- 1 p. |
artikel |
1073 |
Erratum to “Ab initio treatment of the Renner-Teller effect in tetra-atomic molecules undergoing large amplitude bending vibrations”
|
Perić, M |
|
1998 |
1-10 |
1 |
p. 105- 1 p. |
artikel |
1074 |
Erratum to “Collisional quantum interference on rotational energy transfer: physical interpretation of the interference angle” [Chem. Phys. 274 (2001) 175–186]
|
Sun, Mengtao |
|
2002 |
1-10 |
1 |
p. 69- 1 p. |
artikel |
1075 |
Erratum to “Infrared and Raman spectra of 4-(dimethylamino)benzonitrile and isotopomers in the ground state and vibrational analysis” [Chem. Phys. 260 (2000) 193–214]
|
Okamoto, Hiromi |
|
2002 |
1-10 |
1 |
p. 71- 1 p. |
artikel |
1076 |
Erratum to “Quantum transport through organic molecules” [Chem. Phys. 331 (2007) 254–260]
|
Maiti, Santanu K. |
|
2008 |
1-10 |
1 |
p. 130- 1 p. |
artikel |
1077 |
Erratum to “Study of sulfur α-S8 crystals with an anisotropic inter-molecular potential model” [Chem. Phys. 261 (2000) 317–321]
|
Pastorino, C |
|
2001 |
1-10 |
1 |
p. 73-76 4 p. |
artikel |
1078 |
Erratum to “Ultrafast vibrational dynamics of interfacial water” [Chem. Phys. 350 (2008) 23]
|
Ghosh, Avishek |
|
2009 |
1-10 |
1 |
p. 90- 1 p. |
artikel |
1079 |
Error analysis of incremental electron correlation calculations and applications to clusters and potential energy surfaces
|
Friedrich, Joachim |
|
2007 |
1-10 |
1 |
p. 33-43 11 p. |
artikel |
1080 |
ESR and optical spectroscopy of monocarbenes and configurationally mixed dicarbene-diradical molecules in benzophenone crystals
|
Sixl, H. |
|
1986 |
1-10 |
1 |
p. 105-121 17 p. |
artikel |
1081 |
ESR and optical studies of Mo5+ and W5+ ions in phosphomolybdate and phosphotungstate glasses
|
Selvaraj, U. |
|
1988 |
1-10 |
1 |
p. 141-150 10 p. |
artikel |
1082 |
ESR line shapes and methyl rotation in the acetic acid anion radical
|
Erickson, Roland |
|
1992 |
1-10 |
1 |
p. 91-98 8 p. |
artikel |
1083 |
ESR linewidth in oriented solvents with two-angle-dependent distribution function
|
Nordio, Pier Luigi |
|
1975 |
1-10 |
1 |
p. 57-62 6 p. |
artikel |
1084 |
ESR of triplet naphthalene pairs, evidence for non-resonance
|
Hinkel, H. |
|
1978 |
1-10 |
1 |
p. 101-112 12 p. |
artikel |
1085 |
ESR spectra and magnetic constants of α-Al2O3:Co2+,H+ and α-Al2O3 :Co2+,X+
|
Gächter, B.F. |
|
1973 |
1-10 |
1 |
p. 45-54 10 p. |
artikel |
1086 |
ESR Spectra and structure of radical-anions of fluorinated benzonitrile derivatives
|
Starichenko, V.F. |
|
1985 |
1-10 |
1 |
p. 79-87 9 p. |
artikel |
1087 |
Estimation of complex formation rate constants for collisions between diatomic molecules
|
Marković, Nikola |
|
1994 |
1-10 |
1 |
p. 73-85 13 p. |
artikel |
1088 |
Estimation of cross sections for energy transfer in bimolecular collisions
|
Börjesson, L.E.B. |
|
1993 |
1-10 |
1 |
p. 133-143 11 p. |
artikel |
1089 |
Estimation of pK
a shifts in weak polyacids using a simple molecular model: effects of strong polybases, hydrogen bonding and divalent counterion binding
|
Mafé, Salvador |
|
2004 |
1-10 |
1 |
p. 29-35 7 p. |
artikel |
1090 |
Evaluation of dispersion—repulsion contributions to the solvation energy. Calibration of the uniform approximation with the aid of RISM calculations
|
Floris, F.M. |
|
1993 |
1-10 |
1 |
p. 11-20 10 p. |
artikel |
1091 |
Evaluation of HX (X = Cl, Br, O) product distributions from chemiluminescence. I. H atom reactions
|
Wickramaaratchi, M.A. |
|
1984 |
1-10 |
1 |
p. 105-124 20 p. |
artikel |
1092 |
Evaluation of non-adiabatic coupling integrals
|
Poppe, Dirk |
|
1977 |
1-10 |
1 |
p. 131-137 7 p. |
artikel |
1093 |
Evidence for a sequential mechanism in the production of BH from the 193 nm photodissociation of BH3CO
|
Rice, Jane K. |
|
1990 |
1-10 |
1 |
p. 109-121 13 p. |
artikel |
1094 |
Evidence for the breakdown of the point multipole approximation from far-infrared studies on liquid fluorinated benzenes
|
Del Campo, N. |
|
1990 |
1-10 |
1 |
p. 91-95 5 p. |
artikel |
1095 |
Evidence of the dynamic disordering effects in PIC Cl J-aggregates from picosecond spectroscopy
|
Gaižauskas, E. |
|
2001 |
1-10 |
1 |
p. 69-75 7 p. |
artikel |
1096 |
Evolution of angular anisotropy of Auger emission across krypton 3d and xenon 4d thresholds
|
Huttula, S.-M |
|
2003 |
1-10 |
1 |
p. 81-91 11 p. |
artikel |
1097 |
Evolution of the ν
HF absorption bands of B⋯HF complexes on transition from the gas to liquid phase
|
Tokhadze, K.G |
|
2003 |
1-10 |
1 |
p. 45-63 19 p. |
artikel |
1098 |
Exactly solvable many-particle model of bulk recombination of coupled radical pairs with allowance for singlet–triplet transitions
|
Kipriyanov, A.A. |
|
2009 |
1-10 |
1 |
p. 1-13 13 p. |
artikel |
1099 |
Exact results on the relaxation spectrum of a simple model for micelle formation
|
Heilmann, Ole J. |
|
1980 |
1-10 |
1 |
p. 149-156 8 p. |
artikel |
1100 |
Exafs structural parameters for some titanium halides
|
Vlaic, G. |
|
1982 |
1-10 |
1 |
p. 115-122 8 p. |
artikel |
1101 |
Examination of the viability of the Collins-Kimball model and numerical calculation of the time-dependent energy gap law of photoinduced charge separation in polar solution
|
Matsuda, Narifumi |
|
1995 |
1-10 |
1 |
p. 83-95 13 p. |
artikel |
1102 |
Exchange interaction in core excitation of diatomic systems
|
Kosugi, Nobuhiro |
|
2003 |
1-10 |
1 |
p. 117-134 18 p. |
artikel |
1103 |
Exchange mediated pairing as a source of superconductivity in alkali-doped C60
|
Jansen, Laurens |
|
1993 |
1-10 |
1 |
p. 1-14 14 p. |
artikel |
1104 |
Exchange reactions of hydrogen halides with hydrogenic atoms
|
Clary, D.C. |
|
1982 |
1-10 |
1 |
p. 117-125 9 p. |
artikel |
1105 |
Exchange variation of zero-field splittings in [Fe4S4]+ clusters of ferredoxins with high-spin S=3/2 ground state
|
Belinsky, Moisey I. |
|
2000 |
1-10 |
1 |
p. 23-49 27 p. |
artikel |
1106 |
Excimer geometries in bichromophoric molecules: A theoretical and experimental study of 1,2-(bis-9-anthryl)-ethane
|
Scholes, G.D. |
|
1991 |
1-10 |
1 |
p. 127-141 15 p. |
artikel |
1107 |
Excimer luminescence from single crystals and films of a cyano-substituted phenylene–vinylene model compound
|
van Hutten, P.F |
|
1999 |
1-10 |
1 |
p. 139-154 16 p. |
artikel |
1108 |
Excitation energy density dependent fluorescence behaviour of a regioselectively functionalized tetraphenylporphyrin–cellulose conjugate
|
Holzer, W. |
|
2002 |
1-10 |
1 |
p. 89-99 11 p. |
artikel |
1109 |
Excitation of hydrogen flourescence through near resonant energy transfer from argon
|
J. McKenney, Donald |
|
1977 |
1-10 |
1 |
p. 141-147 7 p. |
artikel |
1110 |
Excitation of the methyl methacrylate molecule in the VUV range by angle-resolved EELS
|
Rocco, M.L.M. |
|
1997 |
1-10 |
1 |
p. 15-21 7 p. |
artikel |
1111 |
Excitation transfer in disordered systems: bounds on the decay of donor excitation
|
McGraw, Robert |
|
1985 |
1-10 |
1 |
p. 97-108 12 p. |
artikel |
1112 |
Excitation trapping on two-dimensional percolating clusters
|
Friedrichs, Mark S. |
|
1988 |
1-10 |
1 |
p. 83-97 15 p. |
artikel |
1113 |
Excited alkali atoms: Polarizabilities and van der waals coefficients for resonant interactions
|
Vigné-Maeder, F. |
|
1984 |
1-10 |
1 |
p. 139-148 10 p. |
artikel |
1114 |
Excited electronic states and effect of vibronic-spin–orbit coupling on the radiative deactivation of the lowest triplet states of dioxins
|
Gastilovich, E.A. |
|
2001 |
1-10 |
1 |
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Excited electronic states of CO adsorbed on platinum
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Excited-state intramolecular proton transfer followed by cis–trans isomerization of (1-hydroxy-2-naphthyl)-s-triazine derivatives
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Excited state migration and charge transfer in a semiconductor/aromatic solution system
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Excited state properties and deactivation pathways of 7-aminocoumarins
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Excited state properties from the equations of motion method. Application of the MCTDHF-MCRPA to the dipole moments and oscillator strengths of the A 1Π, a′3Π, a′3Σ+ and d3Δ low-lying valence states of CO
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Excited-state relaxation of bridged and unbridged anilino-pyridinium dyes
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Excited states of ethylene interpreted in terms of perturbed Rydberg series
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Exciton band of a one-molecule-per-unit-cell crystal: hexamethylbenzene first singlet
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Excitonic effects in molecular crystals built up by small organic molecules
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Excitonic gratings in molecular crystals: Exciton diffusion, bimolecular quenching and reabsorption of exciton fluorescence
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Excitonic interactions in covalently-linked porphyrin dimers
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Excitonic optical line shapes of cyclic and elliptically deformed molecular aggregates with 18 units: influence of quasi-static and dynamic disorder
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Exciton reactions in ultrathin molecular wires, filaments and pores: A case study of kinetics and self-ordering in low dimensions
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Exciton-vibrational coupling in molecular aggregates: Electronic versus vibronic dimer
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Experimental and calculated momentum densities for the valence orbitals of carbon tetrafluoride
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Experimental and computational investigation of the quadratic hyperpolarizability of a series of diaryls and polyaryls
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Experimental and theoretical determination of rate constants for vibrational relaxation of CO2 and CH3F by He
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Experimental and theoretical studies of the 14N quadrupole tensors in 1H-1,2,3-benzotriazole
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Experimental and theoretical studies of the reaction of atomic hydrogen with silane
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Experimental and theoretical studies of the valence-shell dipole excitation spectrum and absolute photoabsorption cross section of hydrogen fluoride
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Experimental and theoretical study of the Cls shakeup spectra from biphenyl and p-terphenyl
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Experimental determination of repulsive potentials between alkali ions (Li+, Na+, and K+) and N2 and CO molecules
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Experimental evidence for wannier impurity states in doped rare-gas fluids
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Experimental (SERS) and theoretical (DFT) studies on the adsorption behaviors of l-cysteine on gold/silver nanoparticles
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Experimental, theoretical and numerical studies of line broadening by disorder: the CO vibrational transition in solid α-(CON2) alloy
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Explicit formulae for the ion and solvent profiles in the electric double layer using the mean spherical approximation
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Extension and parameterisation of lattice potential energy equations for salts containing complex anions and cations
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Exterior complex scaling - a calculation of shape resonances in the A1Π state of CH+ using a realistic numeric potential
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External magnetic field effects on chemiluminescence intensities from C2(d) and CN(B) states in low pressure C2H2/N, O flames
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Fabry-Perot spectra of depolarized Rayleigh wing in water: a new analysis of its temperature dependence
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Failure of the linear mixture rule for the vibrational relaxation of C2H2Ar mixtures
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Far-infrared absorption spectra of thiophene in liquid solutions with carbon disulfide
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Far infrared studies of the solid-state phase transition in bis(p-toluene sulphonate)diacetylene monomer and polymer
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Fast and stable photorefractive systems with compatible photoconductors and bifunctional NLO-dyes
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Fast folding dynamics of α-helical peptides – Effect of solvent additives and pH
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19F Chemical shift tensor in fluorobenzene compounds
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F/Cl+C2H2 reactions: Are the addition and hydrogen abstraction direct processes?
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1152 |
Features of the electron transfer between degenerate states
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1153 |
Features of the photochemically active state surfaces of azobenzene
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Monti, Sandra |
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p. 87-99 13 p. |
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Fe(II) hydrolysis in aqueous solution: A DFT study
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Guimarães, Luciana |
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Femtosecond dynamics of excited states in sexithiophene thin films
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Femtosecond polarization spectroscopy of liquid dye solutions
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Feshbach-resonances and dissociative electron attachment of H2O
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Field calibrated measurements of the dc Kerr constants of helium and molecular hydrogen
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Tammer, R. |
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Field dependence of charge mobility in polymer matrices, Monte Carlo simulation of the escape of a charge carrier from a dipole trap
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Field ionizable cesium metal clusters from a foil diffusion source
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Åman, Carina |
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Finite-field many-body perturbation theory. VII. A complete fourth-order MBPT study of multipole moments of the CO molecule
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Finite-field many-body perturbation theory. VIII. Multipole polarizabilities of the CO molecule
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Finite-field many-body perturbation theory. X. Electric field gradients and other properties of N2
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Finite-field method calculations of molecular polarisabilities. II. Theoretical analysis of the correlation corrections with application to some pseudo-two-electron systems
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Gready, Jill E. |
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Finite-field method calculations of molecular polarisabilities. I. Theoretical basis and limitations of SCF and Galerkin treatments
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Finite vibrational displacements in the Eckart—Sayvetz basis
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Neto, N. |
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First experimental evidence of circularly polarized X-ray excited optical luminescence (XEOL) from chiral Eu3+ complexes
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Gauthier, Christophe |
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First hyperpolarizability in proton-transfer benzoxazoles: computer-aided design, synthesis and study of a new model compound
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First-principles pseudopotential in the local-density-functional formalism
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First principles studies of SnTiO3 perovskite as potential environmentally benign ferroelectric material
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First principles studies of the electronic properties and catalytic activity of single-walled carbon nanotube doped with Pt clusters and chains
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Flash CIDNP investigation of a cyclic photoreaction
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Flash photolysis electron spin resonance and CIDEP studies of radicals derived from nitrogen heterocyclics. I. The diazanaphthalenes
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Flowing-afterglow measurements of collisional radiative recombination of argon ions
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Fluctuation-dissipation relations for polymer systems. I. The molecular weight dependence of the viscosity
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Fluorescence and energy transfer in disordered solid tetracene
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Fluorescence and phosphorescence spectroscopy of C70 in toluene at 5 K: site dependent low lying excited states
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Fluorescence decay analysis by iterative reconvolution based on the estimated covariance matrix
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Fluorescence depolarization in macroscopically ordered uniaxial molecular samples. I
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Fluorescence depolarization in nonlinear molecular pairs
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Fluorescence-detected two-photon circular dichroism of Gd3+ in trigonal Na3[Gd(C4H4O5)3] · 2NaClO4 · 6H2O
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Fluorescence from selected rotational levels of S1 glyoxal
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Fluorescence from subpicosecond states of 3,4,9,10-dibenzpyrene
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Fluorescence from the a5P and a3P states of matrix-isolated Fe atoms
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Fluorescence lifetimes of no A2Σ+(ν′= 3 and 4), C2Π(ν′= 0) and D2Σ+(ν′= 0) studied by tunable VUV laser excitation
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Fluorescence polarization anisotropy and kinetics of malachite green measured as a function of solvent viscosity
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Fluorescence quantum yields of isotopic CO2
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Fluorescence quenching of flavins by reductive agents
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Fluorescence quenching of pyrene monomer and excimer by CH3I
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Fluorescence quenching of tertiary amines by halocarbons
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Fluorescence resonance energy transfer between single fluorophores attached to a coiled-coil protein in aqueous solution
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Fluorescence spectra and intramolecular vibrational redistribution in jet-cooled perylene
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Fluorescence spectra of Fe(II) spin crossover complexes with 2,6-bis(benzimidazole-2′-yl)pyridine
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Fluorescence spectra of naphthalene-perdeuteronaphthalene mixed crystals - energy transfer via guest excitons
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Fluorescence spectroscopic analysis of N and P isomers of DODCI
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Fluxionality and stereochemistry of 5-coordinate Cu2+ complexes. The potential energy surface and spectroscopic implications
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Fokker—Planck—Langevin and extended diffusion models of internal rotation in molecules. I. symmetric internal rotor
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Folding dynamics of single GCN-4 peptides by fluorescence resonant energy transfer confocal microscopy
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Force constants and equilibrium geometries in H2O2 and other small molecules containing an OH group
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Formamide — a green's function calculation on its photoelectron spectrum including satellite lines
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Formation and rearrangement of Si12 and Si13 clusters
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Formation and stabilization of twisted intramolecular charge transfer states in binary mixed solvents
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Formation cross sections, emission cross sections and Fano plots of translational-energy-separated excited hydrogen atoms (n = 3,4) produced in e-H2O collisions
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Formation of NH(A 3Π) in the quenching of NH(c 1Π) by Xe, NO, O2 and Kr
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Formation of NH(c1Π) and NH(A3Π) in the photolysis of NH3 HN3 and HNCO at 121.6 nm
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Formation of Pd dimers at regular and defect sites of the MgO(100) surface: cluster model calculations
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Formation of positronium and kinetics of its quenching reactions in benzene solutions
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Formation of the low-lying electronic states of CrO in highly exothermic reactive oxidation. Assessment of new states and partial resolution of previous observations
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Four-atom exoergic indirect reactions A+BCD → AB+CD. 1D-QCT study of some topological factors influencing the energetic distribution of the products
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Fractionally charged ions in crystal lattices of organic ion-radical salts
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Fragmentation of three isotopic toluene monocations in the 15–100 eV photon energy range
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Franck–Condon simulation of photoelectron spectroscopy of HNO− and DNO−: including Duschinsky effects
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Free energies of solvation for peptides and polypeptides using SCRF methods
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Free energies of solvation in aqueous and organic solutions for solutes with amide, keto and ester functional groups
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Free ion and crystal field splitting of Tm3+ in single crystals of thulium sulfate octahydrate
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“Free” nuclear density propagation in two dimensions the coupled-channel density matrix method and its application to inelastic molecule-surface scattering
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Frequency dependent optimization of the ionization process in NaK by means of fs-pulses
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Frequency resolved interferometric coherent Raman spectroscopy with incoherent light: Raman frequency shifts, dephasing rate constants, and nonresonant hyperpolarizabilities of mixtures of benzene in hexane
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Frequency-resolved measurement of fast intramolecular vibrational energy redistribution (IVR) in the O–H stretch of gas-phase ethanol
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From cluster to crystal: Ab initio calculations of the OH− frequency in lithium hydroxide monohydrate
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FT infrared study of sulfur dioxide dimer. I. Nitrogen matrix
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FTIR and fluorescence studies on the ground and excited state hydrogen-bonding interactions between 1-methylindole and water in water–triethylamine mixtures
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FTIR study of water clusters in water–triethylamine solutions
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Full configuration interaction calculations on Be2
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Fullerene derivatives embedded in poly(methylmethacrylate): a laser flash photolysis and time-resolved EPR study
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Fullerenes connected nanotubes: An approach to build multidimensional carbon nanocomposites
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Geometries and energies of the excited states of pyridazine studied by sac and sac CI calculations
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Ground state electric properties of NaH
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Hamiltonian operators including both symmetric and antisymmetric vibrational modes for vibronic coupling and intervalence charge-transfer applications
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Hartree-Fock limit and configuration interaction calculations of the ion-molecule overlap amplitude for hydrogen fluoride: Comparison with EMS experiments
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H-atom abstraction from alcohols by alkyl radicals. Studies on the limiting stage
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He-HF vibrational inelasticity at low and intermediate energies from quantum collision theory
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HeI photoelectron and theoretical study of the gas phase flash pyrolysis of tetrazole and analysis of CN2H2 energy hypersurface
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He I photoelectron spectroscopy of four isotopologues of formic acid: HCOOH, HCOOD, DCOOH and DCOOD
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He(I) photoelectron spectroscopy of transient species: The SeX2 molecules (X = F, Cl and Br)
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Heisenberg model for tetrameric iron clusters in high-potential iron-sulfur proteins. I. Exchange states, g-factors, hyperfine interactions
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Heisenberg model for tetrameric iron clusters in high-potential iron-sulfur proteins. II. Double exchange in distorted cluster
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Heisenberg model of tetrameric manganese cluster of S2 center of Photosystem II
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Helmholtz free energy for two-dimensional Lennard-Jones fluids
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High-accuracy assessment of finiteness effects for hard disks
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High- and low-mobility electrons in liquid neon
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High-capacity hydrogen storage of magnesium-decorated boron fullerene
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Higher excited-state photoisomerization and singlet to triplet intersystem-crossing in DODCI
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Higher-order Stark effect on single-molecules
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Higher RPA and second-order polarization propagator calculations of coupling constants in acetylene
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High-resolution coherent VUV spectroscopy of NO[C2Π(1)∼B 2Π(10), B2Π(11)] and CO[B 1Σ(0)]
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High resolution electron momentum spectroscopy of the valence orbitals of water
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High resolution near infrared spectrum of solid nitrogen, pure and doped with carbon dioxide
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High-resolution one- and two-photon spectroscopy of matrix-isolated molecules. II. Investigations on naphthalene and octadeuteronaphthalene
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High resolution phosphorescence emission studies on para-substituted acetophenones at 1.6 K
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High resolution Raman measurements of the temperature dependence of the phonon linewidth in lithium formate monohydrate crystals
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High resolution spectroscopy in supersonic nozzle beams: The Rb2 B 1ΠuX 1Σ+
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High-resolution spectroscopy of N2O+ in the near ultraviolet using fiblas (fast-ion-beam laser spectroscopy)
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High resolution study of 1388 cm−1 CO2 vibration by time-domain CARS: spectral exchange and Dicke effect
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High-resolution study of the luminescent electronic energy transfer reaction of Xe(3P0,2) with 14N2 and 15N2
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High resolution X-ray and He II excited inner valence photoelectron spectra of HI
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HOC+: An observable interstellar species? A comparison with the isomeric and isoelectronic HCO+, HCN and HNC
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Hole pairing on oxygen sites in high-T
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Holographic detection of photochemical holes
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Homogeneous and heterogeneous CO chemical kinetics in liquid-nitrogen cooled 5% COHe discharges
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Hopping model of thermally stimulated photoluminescence in disordered organic materials
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Hopping transport on a randomly substituted lattice in the presence of dilute deep traps
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Hot atom kinetic theory: Changes in average reaction energy
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How bent can a benzene be? The molecular structure, infrared spectrum and energetics of [6]paracyclophane
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Lee, Timothy J. |
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2h-1p Cl calculations of ionization potentials of small molecules: Corrections to the koopmans theorem
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H2S photoabsorption and photoionization cross sections by Stieltjes imaging
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Hybrid density functional theory, Gaussian, and complete basis set ab initio studies of the stability of aluminium monocarbonyl and aluminium isocarbonyl
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Hybridizations of fullerenes: their relations with properties and applications in computation
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Hybrid potentials for the 1Σg
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Hydration and ion-pairing in concentrated aqueous Mn(NO3)2 solutions. An X-ray and raman spectroscopy study
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Hydrocarbons as proton donors in C–H⋯N and C–H⋯S hydrogen bonds
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Hydrogen and dihydrogen bonding of transition metal hydrides
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Hydrogen bond cooperativity derived from neighboring hydrogen bond formation: case study in three iso-complexes of C8H9N5O2
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2003 |
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p. 79-83 5 p. |
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Hydrogen bonded NHO chains formed by chloranilic acid (CLA) with 4,4′-di-t-butyl-2,2′-bipyridyl (dtBBP) in the solid state
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Bator, G. |
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2012 |
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Hydrogen bonding in malonaldehyde: a density functional and reparametrized semiempirical approach
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2003 |
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Hydrogen bonding in potassium hydrogen maleate and some simple derivatives studied by inelastic neutron scattering spectroscopy
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Tomkinson, Jolin |
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Hyperfine relaxation and frequency shift of the (1,0)→(0,0) transition due to atomic-molecular collisions
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Hyperfine structure, electric and magnetic properties of 14N2
16O in the ground and first excited bending vibrational state
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Reinartz, J.M.L.J. |
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1312 |
Hyperfine versus relaxation mechanisms of the magnetic field effect on recombination fluorescence of geminate pairs
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Okazaki, Masahuro |
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1992 |
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1313 |
Hyperspherical study of the collinear C+HF→CH+F reaction. General dynamic behaviour
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Giménez, X. |
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1989 |
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1314 |
Hyperspherical study of the reaction Cs+H2→CsH+H in the rotating linear model
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Lepetit, B. |
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1989 |
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1315 |
Hypervirial Theorems and SCF Wavefunctions for Coupled Oscillators
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Fernández, Francisco M. |
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1981 |
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1316 |
Identification of born-oppenheimer potential energy surfaces of diatomic molecules from optimized chirped pulses
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Amstrup, Bjarne |
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1995 |
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1317 |
IFC
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Imaging and spectroscopy of terrylene molecules isolated in vapor-deposited n-alkane matrices
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Sepioł, Jerzy |
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Imaging of orbital electron densities by electron momentum spectroscopy – a chemical interpretation of the binary (e,2e) reaction
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Immediate estimation of correlation energy for molecular systems from the partial charges on atoms in the molecule
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Improved non-valence virtual orbitals for CI calculations
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Improvement in photoelectric conversion of a phthalocyanine-sensitized TiO2 electrode by doping with porphyrin
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Impurity and vacancy clustering at the Σ3(111)[1−10] grain boundary in strontium titanate
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Incoherent X-ray scattering by K-shell electrons
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Incorporation probability of a water molecule into a water cluster
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INDO-SCF and CI calculations on the trans-cis isomerization of azomethane in the ground state and in excited states
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Induced infrared absoption bands of ethylene adsorbed on mordenites: Experimental and theoretical studies of electron-donor-acceptor interactions
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Inelastic collisions between 4He and H2: Study of dynamical approximations
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Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline l-alanine
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Inelastic neutron-scattering study of free proton dynamics in γ-MnO2
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Inelastic neutron scattering study of proton dynamics in Ca(OH)2 at 20 K
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Inelastic neutron-scattering study of the proton dynamics in N-methylacetamide at 20 K
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Inelastic scattering by a time-dependent discrete variable representation method
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Inertial effects in the theory of dielectric and kerr effect relaxation. III. Assemblies of nondipolar anisotropically polarizable molecules in alternating and pulsed fields
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Inertial effects in the theory of dielectric and Kerr effect relaxation of an assembly of non-interacting polar molecules in strong alternating fields
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Inertial effects in the theory of dielectric and Kerr effect relaxation of an assembly of non-interacting polar molecules in strong alternating fields. II. The effect of higher-order terms in the distribution function
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Influence of adsorption orientation of methyl orange on silver colloids by Raman and fluorescence spectroscopy: pH effect
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Influence of a magnetic field on delayed fluorescence of aromatic hydrocarbons in solution
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Influence of an identified dimer vibration on the emission spectrum of [2,2]paracyclophane
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Influence of a strong electric field on the dielectric permittivity of solutions of alcohols in neutral solvents. I
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Influence of dichotomic colored energy fluctuations on excitonic optical line shapes of trimers and tetramers
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Influence of ligand spin–orbit coupling to the sign of the zero-field splitting and pressure-induced spectral shift for ZnS:Mn2+ (bulk/nanocrystal)
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Influence of ligand structure and molecular geometry on the properties of d6 polypyridinic transition metal complexes
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Influence of phonons on exciton transfer dynamics: comparison of the Redfield, Förster, and modified Redfield equations
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Influence of substrate morphology on organic layer growth: PTCDA on Ag(111)
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Influence of subunit structure on the oligomerization state of light-harvesting complexes: A free energy calculation study
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Influence of the molecular environment on the hyperfine interaction of 111Cd ions in gaseous radioactive 111InI3
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Influence of the radiation field onto the photodissociation
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Influence of translational and internal energy upon the chemiluminiscent part of the exothermic reaction NO + O3 → NO*
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Influence of triplet—triplet absorption processes on the delayed fluorescence emission of polyriboadenylic acid
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Influence of two-photon processes on the nonlinear optical response of polydiacetylene single crystals in the near-resonant spectral range
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Influences of the molecule–electrode interface structure on the conducting characteristics of the gold-4,4 bipyridine-gold molecular junction
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Information theoretic investigation of vibrationally excited diatomic molecules in an inert matrix
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Information theory for experiments with known conditional probabilities: Application to the prediction of branching ratios
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Infrared and molecular dynamics study of reorientational relaxation of liquid acetonitrile
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Infrared and Raman matrix isolation studies of methylamine
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Infrared and raman spectra of moderatively strong hydrogen-bonded liquids. Effect of electrical anharmonicity upon profiles of hydrogen-stretching bands
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Infrared and Raman spectra of N-chloroethylamine
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Infrared chemiluminescence in the reactions of 0.45 eV hydrogen atoms with Cl2, SCl2 and PCl3
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Infrared chemiluminescent reactions of fluorine atoms with methanol and some deuterated analogs
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Infrared depletion spectroscopy of aniline–acetonitrile cation and aniline–acetonitrile–water cation clusters
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Infrared diode laser study of ArH+ and ArD+ ions in the positive column of an ac glow discharge
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Infrared-induced conformational isomerization of ethylene glycol in a low-temperature argon matrix
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Infrared multiphoton dissociation calculation of a model linear triatomic
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Infrared multiple photon dissociation of dichlorosilane: The production of electronically excited SiCl2
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Infrared photodissociation of size-selected small ammonia clusters
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Infrared photolysis of C2F4S2: a comparison of multiphoton dissociation models
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Infrared spectral absorption intensities in the ν3 and ν4 regions of SF6
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Infrared spectra of hydrogen bond a general theoretical model
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Infrared spectra of 18O-enriched ozones in liquid oxygen solution
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Infrared spectra of oriented thiosemicarbazide crystals. Evidence of absorption frequency changes with polarization direction
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Infrared spectra of polycyclic aromatic hydrocarbons: oxygen substitution
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Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances
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Infrared spectroelectrochemical measurements of the electrochemical double layer: Using carbon monoxide as a double layer probe molecule
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Infrared spectroscopy of gas-phase zirconium oxide clusters
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Infrared spectrum of cyclopropylamine
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Infrared spectrum of isopropylamine
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Infrared study of the interconversion between two forms of the CH3CN:HI complex trapped in solid argon
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Inhibition and enhancement of positronium formation in solutions of fluorobenzenes
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Inhibition of Ps formation by strong Ps quenchers
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Initial state selection and intramolecular vibrational relaxation in reacting polyatomic molecules. Competitive channels with bicyclobutyl precursor
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Inner shell excitation of SF6 by 2.5 keV electron impact
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In-plane vibrational modes of cytosine from an ab initio MO calculation
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In situ EPR spectroelectrochemical studies of paramagnetic centres in poly(3,4-ethylenedioxythiophene) (PEDOT) and poly(3,4-butylenedioxythiophene) (PBuDOT) films
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In situ measurements of oligoaniline conductance: Linking electrochemistry and molecular electronics
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In situ probing of step and terrace sites on Pt(S)-[n(111) × (111)] electrodes
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Instabilities of Hartree-Fock solutions for cyclic six-centre 10π heteronuclear networks
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Instability of self-trapped Frenkel exciton states in one-dimensional microcrystallites
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Integral inelastic cross sections from molecular beam scattering experiments under multiple collision conditions
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Intensities in inelastic neutron scattering spectra: A test of recent theory
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Intensity deconvolution in fluorescence depolarization studies of liquids, liquid crystals and membranes
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Interaction between two chemical reactions in gases. The nonequilibrium effects from the Boltzmann and Fokker-Planck equations within a Lorentz gas model
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Interaction-induced vibrational spectra of liquid CS2 in various solvents. Concentration effect
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Interaction of carbon atoms with Fe
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Interaction of –CCl
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Interaction of intermediate excited states and formation of free charge carriers under laser excitation of a conjugated polymer
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Interaction of light pulses with matter.
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Interaction of light pulses with matter
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Interaction potentials of CdXe from temperature dependent absorption spectra
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Interchannel interactions following shape resonant excitation of core electrons
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Interfacial charge transfer absorption: Application to metal–molecule assemblies
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Interfacial trap states in junctions of molecular semiconductors
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Interference and Fermi-resonant two-vibron bound states
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Intermode vibrational crossing in CH3Br*
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Intermolecular energy transfer in infrared-laser-induced desorption
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Intermolecular forces for D2, N2, O2, F2 and CO2
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Intermolecular interaction-induced quantum beats in femtosecond time-resolved light scattering from molecules: photon-polarization and inhomogeneous effects
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Intermolecular interactions effects in the vibrational spectra of electrolyte solutions
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Intermolecular potential functions and the properties of water
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Internal-energy-selected measurements of acetylene ions with acetylene at thermal energies
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Internal magnetic field effect of transition metal ions on the photochemical reaction of naphthoquinone in micelles
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Interplay of quantum methyl rotation and crystal structure in the lithium acetate dihydrate: neutron diffraction, inelastic neutron scattering and theory
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Interpolation formula for physical properties of polypeptides as a function of the number of amino acid residues
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Interpretation of the infrared spectrum of ozone trapped in inert matrices
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Interpretation of the vibrational spectra of methylglyoxal and biacetyl in their first singlet excited electronic states
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Intersystem crossing from singlet states of molecular dimers and monomers in mixed molecular crystals: picosecond stimulated photon echo experiments
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Intraatomic exchange and the violation of Hund's rule in twisted ethylene
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Intracavity spectroscopy of overtone transition in SiH4,SiH2Cl2, and SiHCl3
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Intramolecular and reactive dynamics of OH-overtone excited HOOH (D): A classical trajectory study on a quasiseparable potential surface
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Intramolecular aspects of the electron transfer in the biferrocenium mixed-valence cation, using PKS theory
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Intramolecular electron transfer in viscous solution
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Intramolecular vibrational activity and quantum beats in the Raman-induced optical Kerr effect of liquids under impulsive electric exciations
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Intramultiplet relaxation of Cd(53P2) induced by collisions with N2 and CO
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Inverse freezing in α-cyclodextrin solutions probed by quasi elastic neutron scattering
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Inversion-free formulation of the direct recursion (transfer matrix) method
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Investigation of nonsolvated electron reactions by means of the positron annihilation method
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Investigation of no scattering from organic monolayers: Spin-orbit state and vibrational state population distributions
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Investigation of structure–spectroscopy–function relationship of two-dimensional J-aggregates of tetrachlorobenzimidazolocarbocyanine preferentially oriented in poly-vinyl-alcohol thin films
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Investigation of the B2Σ and test of the A2II interaction potential for Na(32P)-Ar from high-resolution differential scattering measurements
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Investigation of the lattice vibrations of solid NaNO2 by means of molecular dynamics calculations
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Investigation of the NH-π hydrogen bond interaction in the aniline–alkene (C2H4,C3H6,C4H8) cluster cations by infrared depletion spectroscopy
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Investigation on bonding interaction of benzonitrile with silver nano particles probed by surface enhanced Raman scattering and quantum chemical calculations
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Ion and electron impact ionisation of SiF4 studied via uv emission
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Ionic dissociation of CF2Cl2 photoexcited using monochromatic soft X-rays
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Ionic dissociation of glycine, alanine, valine and proline as induced by VUV (21.21 eV) photons
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Ionization and H abstraction in laser photolysis of TMPD. A time-resolved pulsed EPR study
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Ionization potentials and polarization energies of tetraselenafulvalene (TSF) derivatives determined from ultraviolet photoelectron spectroscopy
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Ion kinetic energy losses and excited state population in ion—molecule reactions
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Ion pair dissociation from N2O followed by autodetachment of N
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Ion-pair formation in alkali atom—oxygen molecule collisions
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Ir absorption spectrum of CrO2Cl2 molecules for high-lying states of the vibrational quasi-continuum
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IR detection by matrix isolation technique of radicals produced in a silane discharge
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IR dissociation of ammonia clusters
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IR dissociation of dimers of high symmetry molecules: SF6, SiF4 and SiH4
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IR Excitation and dissociation of (NH3)
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IR hole burning and conformer interconversion of monomeric and associated 1,2-difluoroethane isolated in rare-gas matrices
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IR laser-induced decomposition of volatile uranyl complexes. I. Analysis of molecular beam depletions
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IR laser-induced decomposition of volatile uranyl complexes II. New double resonance results
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IR photodissociation of vinyl fluoride: Time resolved emission under collisionless conditions
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Irreversible random transition theory as applied to rate processes in condensed media: Transient effects of constrained configuration rearrangements in complex systems
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IR spectral density of weak H-bonded complexes involving damped Fermi resonances. II. Numerical experiments and physical discussion
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Chamma, Didier |
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IR spectral density of weak H-bonded complexes involving damped Fermi resonances. I. Quantum theory
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IR spectral density of weak H-bonds involving indirect damping. I. A new approach using non-Hermitean effective Hamiltonians
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IR spectral density of weak H-bonds involving indirect damping. Part II: Davydov coupling
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IR spectral density of weak H-bonds involving indirect damping. Part III: application to situations with multiple Fermi resonances
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IR spectroscopy and photosensitivity of the H2OLi complex trapped in a krypton matrix
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IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory
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IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments
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IR-visible sum-frequency generation study of methanol adsorption and reaction on Ni(100)
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Isomer effect on the reactivity and inhibition capacity of nitrophenols and nitrophenolates towards ortho-positronium in methanol solutions
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Lévay, L. |
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p. 155-160 6 p. |
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Isothermal-isobaric molecular dynamics
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Isothermalisobaric molecular dynamics simulation of diatomic liquids and their mixtures
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Isotope effects in the emission cross section of H* and D* produced by controlled electron impact on H2O and D2O
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Isotope effects on the rate constants for the processes O2 + O → O + O2 and O2 + O + Ar → O3 + Ar on a modified ground-state potential energy surface for ozone
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Gross, Allan |
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Isotopically resolved spectra of tungsten oxides in solid neon
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Isotopically selective IR multiphoton dissociation of SF6 in a pulsed gas dynamic flow interacting with solid surface
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Isotopically selective multiphoton decomposition of CF3Br and CF3I: separation of selective and non-selective product sources
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Gauthier, M. |
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Isotopic effects in the ground state of the non-symmetrical isotopomers of CuCl2
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Isotopic mixed crystal exciton spectra in the far infrared: Naphthalene
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Isotropic and anisotropic chlorine hyperfine coupling of dichloro-dicyano benzoquinone anion radical
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Corvaja, Carlo |
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Isotropic C
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Thomas, Gerald F. |
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Is there interference in the resonant Auger electron spectra of N 1s and O 1s→2π core excited NO?
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Iterative methods to compute one- and two-dimensional Franck-Condon factors. Tests of accuracy and application to study indirect molecular transitions
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I/V characteristics of a molecular switch
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Jahn-Teller distortions in solid C20 and other fullerene structures
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J-dependence of self-, H2- and He-broadened linewidth parameters for l-type doublet transitions in the bending vibrational state (0110) of HCN
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Kerr relaxation theory of liquids in a cosine field. The case of small intertial effects
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Kinetic energy distributions for O− and metastable CO* produced by electron stimulated desorption from condensed CO2
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Kinetic energy release distribution in the fragmentation of energy-selected iodopropane ions
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1983 |
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Kinetic energy release distribution in the fragmentation of energy-selected vinyl and ethyl bromide ions
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1514 |
Kinetic modelling of radiative reacting gas flow under strong nonequilibrium conditions
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Kinetics and mechanisms of the reactions of CH and CD with H2S and D2S
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Kinetics of CN reactions with allene, butadiene, propylene and acrylonitrile
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Kinetics of CN(X 2Σ+) radical reactions with HCN, BrCN and CH3CN
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Kinetics of methyl radical reaction with methanol at 20–105 K
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Kinetics of partly diffusion controlled reactions. II. Competition between physical and chemical kinetics. Theoretical treatment
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1520 |
Kinetics of partly diffusion controlled reactions. III. Competition between physical and chemical kinetics. Experimental results
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Kinetics of photochromic reactions in a 10-membered dibenzoazo crown ether
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Kinetics of photophysical and photochemical processes involving selective excitation of ortho-I2 by laser radiation
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Kinetics of the CH3
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Kinetics of the reaction of CH3S with NO, NO2 and O2
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Kinetics of triplet–triplet annihilation in disordered organic solids on short time scale
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Kinetic studies of the bromine-oxygen system: A new paramagnetic particle, BrO2
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Kinetic study of proton-bound dimer formation using ion mobility spectrometry
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Kinetic study of the photooxidation of pyrocatechol by modulated electronic excitation IR and ESR spectroscopy (MEIR and MESR)
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Kinetic theory of bimolecular reactions in condensed media
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Kohlrausch relaxation in electronic and molecular glasses
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Lack of ionic strength effect in the recombination of hydrated electrons: (e−)aq + (e−)aq → 2(OH−) + H2
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Large amplitude Hamiltonians for internal motion in AX3 molecules. Evaluation of inversion-rotation models
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Large configuration interaction calculations of nuclear spin-spin coupling constants
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Large configuration interaction calculations of nuclear spin—spin coupling constants. I. HD molecule
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Large scale random phase calculations for direct self-consistent field wavefunctions
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Laser- and collision-induced fluorescence from Rydberg state of Li2
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Laser diagnostics of the surface catalyzed equilibrium 2NaNa2
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Laser excitation and dispersed fluorescence investigations of the
A
̃
2
Π−
X
̃
2Σ+
system of SrOH
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Laser flash photolysis of IrCl6
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Laser flash photolysis studies of magnetic field effects on the hydrogen abstraction reaction of quinoline in micellar solution
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Laser-induced dissociation of phenetole ions prepared by resonance-enhanced two-photon, two-color ionization
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Laser-induced fluorescence and fluorescence lifetime of diphenylbenzobis(thiadiazole) in supersonic free jets
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Laser-induced fluorescence from weakly bound states of KI
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Laser induced fluorescence of Sb2. I. Visible B–X system
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Laser-induced fluorescence spectroscopy of He-, Ne-, Ar-, and Kr-aniline van der Waals complexes in a supersonic free jet. Analysis of rotational contours
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Laser-induced grating spectroscopy of Cr3+-doped Gd3Ga5O12 and Gd3Sc2Ga3O12 crystals
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Laser-initiated chain reactions and microexplosions in solid solutions of methylcyclopropane and chlorine
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Laser isotope separation and the multiphoton dissociation of formic acid using a pulsed HF laser
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Laser multiphoton dissociation and multiphoton ionization of VOCl3
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Laser photodissociation of fluorinated molecular dications
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Laser photodissociation of the isotopic hydrogen molecular ions. Comparison between experimental and ab initio computed fragment kinetic energy spectra
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Laser photofragment spectroscopy of O2
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Laser Photolysis AT 694.3 nm of highly excited vibrational levels of Ar2(3Σu
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Laser photolysis at 694.3 nm of highly excited vibrational levels of AR2(3Σu
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Laser photolysis of C2H2 and CF3C2H at 193 nm: Production of C2(d3Πg and CH(A2Δ) and their quenching by Xe
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Laser pulse shaping for optimal control of multiphoton dissociation in a diatomic molecule using genetic algorithm optimization
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Laser time-resolved raman spectroscopy of mode selectivity and vibrational energy distribution for IR MP excited polyatomic molecules
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Lattice dynamics of TTF–CA across the neutral–ionic transition
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Leading coordinate analysis of reaction pathways in proton chain transfer: Application to a two-proton transfer model for the green fluorescent protein
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Lennard-Jones fluid between adiabatically moved interacting walls
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Lewis electronic structures as the large-dimension limit for H2
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Li cation–aromatic organic radical complex in a zeolite studied by electron spin echo envelope modulation spectroscopy
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Lifetime measurements on the
c
4
′
1Σ+
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, v=0, 1 and 2 states of molecular nitrogen
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LIF excitation spectra of 2,6-dicyanoaniline
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Ligand field analysis of Mn5+ in tetra-oxo coordination
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Ligand spin polarization and antiferromagnetic coupling in transition metal dimers
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Light intensity dependence of a two-photon catalytic cycle: photoionization via absorption–electron transfer–absorption
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Li2 ground and excited states by the open-shell coupled-cluster method
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Li+ in liquid hydroxylamine: intermolecular potential function and Monte Carlo simulation
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Limited configuration interaction calculation of the optical spectrum for the permanganate ion
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Linear and nonlinear response of 2-D single carrier dots: Role of impurity perturbations
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Linear optical properties of perylene-based chromophores
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Line-narrowed spectra and kinetics of laser-excited delayed fluorescence of complex molecules in solid solutions
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Line narrowing and site selectivity in tryptophan fluorescence from proteins and glasses: Cryogenic studies of conformational disorder and dynamics
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Line shapes in electronic absorption spectra. Phenanthrene
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Lineshapes of molecular aggregates, exchange narrowing and intersite correlation
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Local decoupling of a bunch of resonances and associated trapping effect
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Local density functional theory calculation of the in-plane force field and vibrational frequencies of conjugated molecules: benzene and octatetraene
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Local description of the through phenyl transfer of a negative charge within resonance theory: topological effects in xylylene radical anions
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Localization and correlation corrections in electronic interactions through single bonded hydrocarbon spacers
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Localization of electrons and excitations
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Local spin moment of LaCoO3 probed by a core hole
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Long-range correlation between polar molecules adsorbed onto a dielectric solid
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Long-range interaction energy of two- and four-electron atoms
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Long range order and hydrogen bonding in liquid methanol: A Monte Carlo simulation
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Long range quenching of triplet phenanthrene by copper ions in the liquid phase
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Low density relaxation of the transverse nuclear magnetization in molecular gases
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Low density spectrum of transverse NMR in molecular gases. Application to hydrogen
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Lowest energy triplet states of group Vb hydrides: NH3 (ND3) and PH3
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Arfa, Mondher Ben |
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Low-field CIDNP study of photoinduced electron transfer reactions
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Low-lying states of AlC2 and SiC2
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Low-temperature activation of molecular oxygen by gold clusters: a stoichiometric process correlated to electron affinity
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Low-temperature elastic anomalies in an anthracene single crystal
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Low-temperature zero phonon lineshapes with various Brownian oscillator spectral densities
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Luminescence and triplet decay in quinoxaline vapors
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Luminescence in near-thermal charge exchange. III. CH(+) and CD(+) A → X emission from He+ C2H2 and He+ + C2D2
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Luminescence of microcrystals and solutions of 8-azagona-1,3,5(10),13-tetraene-12,17-dione
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Luminescence spectrum and kinetics of laser-excited HgNH3 complex
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Horiguchi, Hiroyuki |
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Luminescent charge transfer of ground-state and metastable B+ ions
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1600 |
Magnetic and optical properties of exact PPP states of naphthalene
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Magnetic circular dichroism of impurities in solids: KMgF3:C
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Magnetic circular dichroism of neutral and ionic forms of octaethylhemiporphycene
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Magnetic circular dichroism of the carbon tetrahalides in the n
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Magnetic effects in the photolysis of micellar solutions of phenacylphenylsulfone
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Magnetic field, additive and structural effects on the decay kinetics of micellized triplet radical pairs. Role of diffusion, spin-orbit coupling and paramagnetic relaxation
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Magnetic field dependence of phosphorescence intensity and optical nuclear polarization (ONP) as a result of level-anti-crossing (LAC) and relaxation i
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Magnetic field effect of the fluorescence of gaseous NO2 excited to the 2B2 and 2B1 states
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Magnetic field effect of the fluorescence of gaseous NO2 excited to the 2B2 and 2B1 states (Chemical Physics 207 (1996) 115–136)
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Magnetic field effects in a polymer-chain-linked donor—acceptor system
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1610 |
Magnetic field effects on photoinduced electron transfer and the succeeding processes in phenothiazine-viologen linked compounds incorporated into cyclodextrins or reversed micelles
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Magnetic field effects on the recombination of radical ions in reaction centers of photosynthetic bacteria
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1612 |
Magnetic field induced cross relaxation between two different spin transitions of triplet coumarin
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Gniazdowski, Christina L. |
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1613 |
Magnetic field perturbation of the doublet states in Cr(III) complexes with quadratic and cubic symmetries. A study on the role of levels having 2T1g parentage
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Ronco, S. |
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Magnetic mixed-valence d2-d1-d1 trimers with partial electron delocalization: vibronic coupling and magnetic properties
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1615 |
Magnetic predissociation of the D 1Σ+
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1616 |
Magnetic properties in terms of localized quantities. XI. Fluorine compounds of first-row elements
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Magnetic properties of the quasi one-dimensional Heisenberg linear chain antiferromagnet: manganocene
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1618 |
Magnetic spectra of the dimer O2Ar
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Magnetic susceptibility and luminescence of α-ZnAl2S4 tiospinel doped with chromium
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Magnetism in disjoint/non-disjoint composite bands
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Magnitude and orientation of rotation in exchange reactions A + BC å AB + C.II.
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Mandelstam–Brillouin spectra and hyperacoustic velocities dispersion of trideuteroacetonitrile in the liquid state
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1623 |
Manipulating the biochemical nanoenvironment around single molecules contained within vesicles
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Many-body and quantum effects in the surface tension and surface energy of liquid neon and argon using the Fowler’s approximation
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Many-body calculation of the core hole spectrum of PdN2
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Decleva, P. |
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Many-body calculation of the valence photoemission spectrum of ferrocene
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Ohno, M. |
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Many-body effects in ion-water interactions: Fe3+ in water
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Many-body theory of the Auger Auger-electron coincidence spectroscopy (AAECS) spectra of solids
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1629 |
Mass spectra and theoretical modeling of Li+Ne
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1630 |
Material properties of low-dimensional charge-transfer salts. I. Charge fluctuations in systems with stronger electronic correlations
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Böhm, Michael C. |
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Material properties of low-dimensional charge-transfer salts. II. Mode-softening, Peierls transitions and van Hove singularities
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Matrix and gas infrared spectra of nitroethane isotopic species
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Matrix elements of the linear Boltzmann collision operator for systems of two components at different temperatures
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Matrix-isolated NbO: A magnetic circular dichroism investigation
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Matrix isolation infrared spectroscopic and density functional theoretical studies of the reactions of silver and gold atoms with carbon disulfide
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Matrix-isolation infrared spectroscopic studies on ablated products generated from laser ablation of Ta2O5 and Ta in ambient O2/Ar gas
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Chen, Mohua |
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Matrix isolation study of the products of the interaction between metastable Ar and Kr atoms and chloroform. Photodecomposition of HCCl+
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Matrix isolation study of the thermal and photochemical reaction of ozone with Trimethyl Indium
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Matrix isolation study of the vacuum ultraviolet photolysis of allene and methylacetylene. Vibrational and electronic spectra of the species C3, C3H, C3H2, and C3H3
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1974 |
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Matrix representation of the relativistic kinetic energy operator: Two-component variational procedure for the treatment of many-electron atoms and molecules
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MBPT studies of van der Waals molecules. III. The reliability of apparently accurate calculations for the magnesium dimer
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MCD and absorption spectra of tribenzo[12] annulene
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MCD spectroscopy and magnetization studies of matrix-isolated aluminium atoms
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Mean field theory studies of surface reactions on disordered substrates
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Measurement and ab initio modeling of the inelastic neutron scattering of solid melamine
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Measurement and analysis of electronic energy transfer between Tb★ and Eu★ ions in Cs2NaY1−x−y TbxEuyCl6
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M. Moran, Diane |
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Measurement of state-to-state rotational transfer rates in collision of I2
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Measurement of the driving force dependence of interfacial charge-transfer rate constants in response to pH changes at n-ZnO/H2O interfaces
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Measurements of depolarization ratios of gaseous linear chain molecules: A test of the principle of the additivity of bond polarizabilities
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Measurements of the hyperfine structure of hydrogen dimers in zero magnetic field
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Measurements of the influence of the angular dependent intermolecular potential on the total collision cross section for molecular hydrogen and various scattering partners
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Measurements of the radiative lifetimes of the Cl2 ion-pair states by optical-optical double resonance
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1653 |
Measurements of the subpicosecond relaxation rates of the first excited singlet states of some pseudoazulenes in solution
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Mechanism for collision-induced transitions between Λ-doublets in 1Π molecules: Reduction to a single scattering potential
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Green, Sheldon |
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Mechanism of external magnetic field dependent fluorescence decays of gaseous carbon disulfide
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Mechanism of Hg(3P1) relaxation in nitrogen matrices. II. Experimental results and interpretation
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Mechanism of resonant multiphoton ionization dissociation of p-xylene
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Mechanism of the metastable reaction H2S+ → S+ + H2; product energy distributions and their dependence on temparature
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Medium influence on the mechanism of the photoreaction of anthraquinone with triethylamine
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Merocyanines: polyene–polymethine transition in donor–acceptor-substituted stilbenes and polyenes
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Methane-rare gas interaction potentials from scattering experiments
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Method to determine the rotarional temperature in a molecular beam, democstrated on O2
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Methylation effects on the collisional quenching of vibrationally excited benzene derivatives by unexcited parent molecules
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Methyl group dynamics in paracetamol and acetanilide: probing the static properties of intermolecular hydrogen bonds formed by peptide groups
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Methyl group tunneling rotation in the lowest nπ* state of toluquinone. An optically detected ENDOR, LAC and CR study
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Methyl tunnelling in solid diacetyl
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Methyl tunnelling in tiglic acid and 2-methyl-2-butene
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Microscopic dielectric theory for molecular crystals
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Microscopic modelling of photoisomerization and internal-conversion dynamics
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Microsolvation of lithium in ammonia: Dissociation energies and spectroscopic parameters of small
Li
(
NH
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Micro-spectroscopy of individual nanostructures of molecular aggregates: relationship between morphology and optical properties
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Microwave and infrared spectra of C2H4…HCCH: barrier to twofold internal rotation of C2H4
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Microwave spectra and partial substitution structure of carboxylic acid bimolecules
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Microwave spectra, substitution structure and vibrational satellites of formic anhydride
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Microwave spectrum, centrifugal distortion constants, dipole moment and quadrupole coupling constants of pentafluoropyridine
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Microwave spectrum of 35ClCN in excited vibrational states
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Microwave spectrum of the CH3OH-NH3 complex
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Millimeter wave spectrum of gaseous bismuth monofluoride (BiF)
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Misleading aspects of the viscosity effect on the heterogeneous electron transfer reactions
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Mixed-valence trinuclear cluster (2d
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Molecular complexes between carbon suboxide and acetylene derivatives: a cryogenic matrix and theoretical study
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Molecular dissociation processes caused by ionization and excitation of CH4 and CD4
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Molecular dynamics of copper plastocyanin: simulations of structure and dynamics as a function of hydration
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Molecular dynamics simulation based on the multi-component molecular orbital method: Application to
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5
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Molecular dynamics simulations of Na+ and Cl− ions solvation in aqueous mixtures of formamide
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Molecular dynamics simulations of the bulk phases of 4-cyano-4′-n-pentyloxybiphenyl
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Molecular dynamics simulations of water-methanol mixtures
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Natural coordinates for polyatomic reactions
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nπ-ct-π* Transitions: nπ* Transitions of the second kind
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Near-resonant V-V transfer rates for high-lying vibrational states of CO
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Neat and mixed crystal and glass optical spectra of the anthracene-trinitrobenzene complex
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Negative chemical ionization mass spectrometric study on the electron attachment to CF
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Cl4−x
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Nematic and crystalline ordering in the lattice model of hard rods with a mean field interaction
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Nematic–smectic-A phase transition in porous media
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14N ENDOR study of Cu(II)-doped triglycine sulfate crystals (TGS)
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Neutral oxygen atom density in the MESOX air plasma solar furnace facility
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Neutron inelastic scattering spectra of strongly hydrogen bonded acid oxalates NaHC2O4, KHC2O4 and LiHC2O4
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New intercombination bands in the emission spectrum of CO: the B1Σ+ → d3Δ
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New mechanism for the vibrational mode-specific proton-transfer reaction NH3
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14N NQR investigation of some thermochromic and photochromic salicylideneanilines and related compounds
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Non-Condon effects in triplet-singlet spectra. The 3B1-1A1 system of NO2
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Non-empirical SCF and Cl Study of the ground and excited states of thioformaldehyde
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Non-linear electric and magnetic properties obtained from cubic response functions in the random phase approximation
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Nonlinear spectroscopy, scattering and excitation trapping of exciton-polaritons in naphthalene and doped naphthalene crystals
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Non-markovian theory of sudden modulation. In-cage reaction kinetics of chemically anisotropic reagents
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Non-maxwellian velocity distributions and molecular beam intensities in sonic nozzle expansions
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Non-orthogonal basis functions in the solution of diffusional problems
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Non-radiative decay of the T1 states of chloronaphthalenes and protonated chloroquinolines at 77 K
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Non-resonant V—V energy transfer between diatomic molecules at low temperatures
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Non-resonant VV transfer in liquid Ar and in the gas phase at 85K
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[No title]
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14N quadrupole coupling in thermochromic and photochromic N-salicyclideneanilines
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14N Quadrupole coupling tensors in solid pyrazole, 1H-1,2,4-triazole, and 1H-tetrazole: Theory and experiment
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Nuclear Coordinate dependence of electronic transition moments in orbitally forbidden transitions: A new interpretation of deuterium isotope effects
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Nuclear motion and symmetry breaking of the B 1s-excited BF3 molecule
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Nuclear relaxation and molecular motion of 1,3,5-trifluorobenzene-d
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Nuclear relaxation and vibrational contributions to the static electrical properties of polyatomic molecules: beyond the Hartree-Fock approximation
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Nucleation and particle growth in supercooled flows of SF6/N2 and UF6/N2 mixtures
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O2
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Observation and dynamics of “mixed-valence isomers” and a thermodynamic estimate of electronic coupling parameters
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Observation of a bottleneck in the vibrational relaxation of liquid bromoform
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Observation of delocalized states of the proton in carboxylic acid dimers in condensed matter
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On diffusion-controlled dissociation
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One dimensional melt subjected to rapid quench
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One photon mode selective control of reactions by rapid or shaped laser pulses: An emperor without clothes?
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On forward and inverse scattering
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On the elastic properties of lithium, sodium and potassium oxide. An ab initio study
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On the interpretation of the photoelectron spectra of the cyanoethylenes by green function methods
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