| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the Cl+H2S atmospheric reaction: is there a breakdown of the transition state theory?
|
Resende, Stella Maris
|
|
2008
|
|
7 |
p. 841-848
|
artikel
|
| 2 |
Accuracy of the Judd—Ofelt theory
|
GOLDNER, P.
|
|
2003
|
|
7 |
p. 903-908
|
artikel
|
| 3 |
A comparison of finite basis set and finite difference Hartree-Fock calculations for the open- shell (X2Σ+) molecules BeF, MgF, CaF and SrF
|
KOBUS, J.
|
|
2000
|
|
7 |
p. 401-407
|
artikel
|
| 4 |
A model phospholipid monolayer: a computer simulation study
|
ZARRAGOICOECHEA, GUILLERMO J.
|
|
1999
|
|
7 |
p. 1109-1113
|
artikel
|
| 5 |
A molecular dynamics study of model cyanoadamantane
|
CATHIAUX, DAVID
|
|
1999
|
|
7 |
p. 1033-1042
|
artikel
|
| 6 |
Analytical representations for the radial distribution functions of mixtures of adhesive spheres
|
TUTSCHKA, CHRISTIAN
|
|
2002
|
|
7 |
p. 1025-1032
|
artikel
|
| 7 |
An application of the self-consistent variational effective potential against the path-integral to compute equilibrium properties of quantum simple fluids
|
SESE, LUIS M.
|
|
1999
|
|
7 |
p. 881-896
|
artikel
|
| 8 |
Anisotropie dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems
|
MEDVED, M.
|
|
2000
|
|
7 |
p. 453-463
|
artikel
|
| 9 |
ANNOUNCEMENT
|
|
|
1999
|
|
7 |
p. 1151
|
artikel
|
| 10 |
Applications of the Judd—Ofelt theory in lanthanide—chelidamic acid complexation
|
CHOPPIN, GERGORY R.
|
|
2003
|
|
7 |
p. 935-939
|
artikel
|
| 11 |
A refined estimate of the bond length of methane
|
STANTON, JOHN F.
|
|
1999
|
|
7 |
p. 841-845
|
artikel
|
| 12 |
A SAFT model for associating Lennard-Jones chain mixtures
|
TANG, YIPING
|
|
2002
|
|
7 |
p. 1033-1047
|
artikel
|
| 13 |
A simple theory for the partial molar volumes of a binary mixture
|
HENDERSON, DOUGLAS
|
|
1999
|
|
7 |
p. 1145-1149
|
artikel
|
| 14 |
Atom-pair formulation of the rotational and vibrational motions of molecules
|
LOHR, LAWRENCE L.
|
|
2000
|
|
7 |
p. 397-400
|
artikel
|
| 15 |
Calculation of dipole moment functions with density functional theory: application to vibrational band intensities
|
KJAERGAARD, HENRIK G.
|
|
1999
|
|
7 |
p. 1125-1138
|
artikel
|
| 16 |
Characterization of palmitic and lauric acid aerosols from rapid expansion of supercritical CO2 solutions
|
Gadermann, Moritz
|
|
2008
|
|
7 |
p. 945-953
|
artikel
|
| 17 |
Concentration and temperature dependent interaction studies using dielectric and thermodynamic methods on mixtures of anisole with o-toluidine and m-toluidine
|
Parthipan, G.
|
|
2008
|
|
7 |
p. 937-943
|
artikel
|
| 18 |
Configuration interaction of Er3+ with a charge transfer configuration in the elpasolite compound Cs2NaErCl6
|
FAUCHER, MICHELE D.
|
|
2003
|
|
7 |
p. 983-992
|
artikel
|
| 19 |
Coulomb hole in N2, CO and O2 deduced from X-ray scattering cross-sections
|
Watanabe, Noboru
|
|
2004
|
|
7 |
p. 649-657
|
artikel
|
| 20 |
Coulomb interactions in a computer simulation of a system periodic in two directions
|
GRZYBOWSKI, A.
|
|
2002
|
|
7 |
p. 1017-1023
|
artikel
|
| 21 |
Crystal structure, spectroscopy and magnetism of binuclear complexes of mercury and lanthanides; the Ln(NCS)(HMPA)4(μ-SCN)2HgCl(SCN) type
|
GAŁDECKA, E.
|
|
2003
|
|
7 |
p. 1015-1027
|
artikel
|
| 22 |
Density profiles and solvation force for a liquid in a slit
|
NOWORYTA, JERZY P.
|
|
1999
|
|
7 |
p. 1139-1143
|
artikel
|
| 23 |
Determining surface free energies of crystals with highly disordered surfaces from simulation
|
SMITH, PAUL
|
|
1999
|
|
7 |
p. 1027-1032
|
artikel
|
| 24 |
Direct correlation functions and bridge functions in additive hard-sphere mixtures
|
YUSTE, S.B.
|
|
2000
|
|
7 |
p. 439-446
|
artikel
|
| 25 |
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
|
TOZER, DAVID J.
|
|
1999
|
|
7 |
p. 859-868
|
artikel
|
| 26 |
Dynamic correlation
|
COHEN, ARON J.
|
|
2001
|
|
7 |
p. 607-615
|
artikel
|
| 27 |
Dynamics and hydrogen bonding in liquid ethanol
|
SAIZ, L.
|
|
1999
|
|
7 |
p. 897-905
|
artikel
|
| 28 |
Editorial
|
Smentek, Lidia
|
|
2003
|
|
7 |
p. 881-884
|
artikel
|
| 29 |
Editorial Board
|
|
|
2002
|
|
7 |
p. 1
|
artikel
|
| 30 |
Editorial Board
|
|
|
2003
|
|
7 |
p. 1
|
artikel
|
| 31 |
Editorial Board
|
|
|
2001
|
|
7 |
p. 1
|
artikel
|
| 32 |
Effect of silica type and concentrations on the physical properties of EPDM cured by γ-irradiation
|
Madani, M.
|
|
2008
|
|
7 |
p. 849-857
|
artikel
|
| 33 |
Effect of the Berendsen thermostat on the dynamical properties of water
|
Mudi, Anirban
|
|
2004
|
|
7 |
p. 681-685
|
artikel
|
| 34 |
Electric and magnetic properties of hexaethynylbenzene
|
FOWLER, P.W.
|
|
1999
|
|
7 |
p. 1099-1108
|
artikel
|
| 35 |
Electric moments of carbon dichalcogenides
|
Benkova, Zuzana
|
|
2004
|
|
7 |
p. 687-699
|
artikel
|
| 36 |
Erratum
|
|
|
2008
|
|
7 |
p. 965
|
artikel
|
| 37 |
Erratum
|
|
|
2008
|
|
7 |
p. 963-964
|
artikel
|
| 38 |
Experimental and theoretical study of the far-infrared spectra of HCl dissolved in liquid Ar, Kr, and Xe
|
HERREBOUT, W.A.
|
|
1999
|
|
7 |
p. 1115-1124
|
artikel
|
| 39 |
Fourier path integral Monte Carlo study of a two-dimensional model quantum monolayer
|
ORTIZ, VANESSA
|
|
2002
|
|
7 |
p. 1003-1009
|
artikel
|
| 40 |
Gas phase A-band short time photodissociation dynamics of trans and gauche conformations of 1-iodopropane and comparison with the solution phase short time photodissociation dynamics
|
ZHENG, XUMING
|
|
1999
|
|
7 |
p. 1051-1061
|
artikel
|
| 41 |
Group representations and multinomial combinatorics of the icosahedral symmetry
|
Balasubramanian, K.
|
|
2004
|
|
7 |
p. 659-679
|
artikel
|
| 42 |
Highly luminescent europium(III) complexes with naphtoiltrifluoroacetone and dimethyl sulphoxide
|
CARLOS, L.D.
|
|
2003
|
|
7 |
p. 1037-1045
|
artikel
|
| 43 |
High resolution FTIR spectra and analysis of the ν11 fundamental and of the ν2 + ν11, ν5 + ν12 and ν7 + ν16 combination bands of 12C6D6
|
SNELS, MARCEL
|
|
2002
|
|
7 |
p. 981-1001
|
artikel
|
| 44 |
How does protonation affect the electron density of ozone?
|
XENIDES, DEMETRIOS
|
|
2002
|
|
7 |
p. 1057-1059
|
artikel
|
| 45 |
Intensity and bandwidth of multiphonon vibronic transitions of rare-earth ions in crystals
|
LIU, G.K.
|
|
2003
|
|
7 |
p. 1029-1036
|
artikel
|
| 46 |
Interaction induced Raman light scattering as a probe of the local density structure of binary supercritical solutions
|
BAGLIN, FRANK G.
|
|
2000
|
|
7 |
p. 409-418
|
artikel
|
| 47 |
Is it possible to infer the equation of state of a mixture of hard discs from that of the one-component system?
|
SANTOS, ANDRES
|
|
2001
|
|
7 |
p. 617
|
artikel
|
| 48 |
Is the Ar—Br2(X1Σ+g) van der Waals complex linear rather than T-shaped? A study in terms of ab initio based potential energy surfaces
|
NAUMKIN, F.Y.
|
|
1999
|
|
7 |
p. 1043-1049
|
artikel
|
| 49 |
Is there a spatial correlation in the distribution of adsorbed atoms in the cages of a zeolite?
|
Jameson, Cynthia J.
|
|
2004
|
|
7 |
p. 723-727
|
artikel
|
| 50 |
Judd—Ofelt parametrizations for lanthanides: sensitivity analysis of multiple local minima
|
BURDICK, G.W.
|
|
2003
|
|
7 |
p. 909-916
|
artikel
|
| 51 |
Judd—Ofelt theory: past, present and future
|
SMENTEK, LIDIA
|
|
2003
|
|
7 |
p. 893-897
|
artikel
|
| 52 |
Luminescence properties of lanthanide(III) ions in concentrated carbonate solution
|
NAGAISHI, RYUJI
|
|
2003
|
|
7 |
p. 1007-1014
|
artikel
|
| 53 |
Luminescence spectroscopy of high-energy 4f11 levels of Er3+ in fluorides
|
WEGH, R.T.
|
|
2003
|
|
7 |
p. 1047-1056
|
artikel
|
| 54 |
Magnetic field effect as a probe of distance-dependent electron transfer in systems undergoing free diffusion
|
KRISSINEL, E.B.
|
|
1999
|
|
7 |
p. 1083-1097
|
artikel
|
| 55 |
Magnetic field effect on the H2CS fluorescence from the first excited singlet state A1A2
|
MAKAROV, VLADIMIR I.
|
|
2002
|
|
7 |
p. 953-969
|
artikel
|
| 56 |
Measurements and calculations of ethylene line-broadening by argon in the ν7 band at room temperature
|
Nguyen, L.
|
|
2008
|
|
7 |
p. 873-880
|
artikel
|
| 57 |
Modification of single molecule fluorescence close to a nanostructure: radiation pattern, spontaneous emission and quenching
|
Kuhn, S.
|
|
2008
|
|
7 |
p. 893-908
|
artikel
|
| 58 |
Molecular dynamics simulation of binary hard sphere crystal/melt interfaces
|
DAVIDCHACK, RUSLAN L.
|
|
1999
|
|
7 |
p. 833-839
|
artikel
|
| 59 |
Molecular dynamics simulation of liquid CCl4 with a new polarizable potential model
|
SOETENS, JEAN-CHRISTOPHE
|
|
1999
|
|
7 |
p. 1003-1012
|
artikel
|
| 60 |
Multiphonon relaxation of excited rare-earth ions in ionic matrices
|
PUKHOV, K.K.
|
|
2003
|
|
7 |
p. 1001-1006
|
artikel
|
| 61 |
Multireference second-order Brillouin-Wigner perturbation theory
|
Hubac˘, I.
|
|
2004
|
|
7 |
p. 701-709
|
artikel
|
| 62 |
Neutron diffraction experiments on a fluid, equimolar mixture of methane and carbon tetrafluoride
|
BERTAGNOLLI, H.
|
|
1999
|
|
7 |
p. 1075-1082
|
artikel
|
| 63 |
New optical absorption spectra of Cu2 molecules produced by the gas evaporation technique
|
OKAZAKI, TSUGIO
|
|
2000
|
|
7 |
p. 447-452
|
artikel
|
| 64 |
On spectroscopic properties of the KYb(WO4)2:Pr3+ crystal
|
DEREN, P.J.
|
|
2003
|
|
7 |
p. 951-960
|
artikel
|
| 65 |
On the beauty of the fxyz orbital in T, Td, D2d and D2 symmetries
|
GORLLER-WALRAND, CHRISTIANE
|
|
2003
|
|
7 |
p. 993-995
|
artikel
|
| 66 |
On the calculation of the static structure factor of path-integral quantum simple fluids far from exchange
|
SESE, LUIS M.
|
|
2001
|
|
7 |
p. 585-606
|
artikel
|
| 67 |
Optical emission properties of Nd3+ in NaBi(WO4)2 single crystal
|
MENDEZ-BLAS, A.
|
|
2003
|
|
7 |
p. 941-949
|
artikel
|
| 68 |
Optical properties and upconversion in Yb3+—Tm3+ co-doped oxyfluoride glasses and glass ceramics
|
MENDEZ-RAMOS, J.
|
|
2003
|
|
7 |
p. 1057-1065
|
artikel
|
| 69 |
Optical study of erbium-doped La3Ga5.5Ta0.5O14 single crystal
|
RYBA-ROMANOWSKI, W.
|
|
2003
|
|
7 |
p. 1067-1072
|
artikel
|
| 70 |
Overtone spectroscopy and thermal lens detection limit of methane in cryo-solutions
|
Lopez-Calvo, Alfredo
|
|
2008
|
|
7 |
p. 909-920
|
artikel
|
| 71 |
Perturbation expansions and gauge choices in Judd—Ofelt theory
|
NAGULESWARAN, S.
|
|
2003
|
|
7 |
p. 917-922
|
artikel
|
| 72 |
Polarizability anisotropies of cyano-substituted azulene, biphenyl, 2,2'- bipyridyl and naphthalene
|
HOWARD, SIAN T.
|
|
1999
|
|
7 |
p. 913-918
|
artikel
|
| 73 |
Pt-Re small cluster interaction with H2
|
OMANA, J.
|
|
2000
|
|
7 |
p. 465-472
|
artikel
|
| 74 |
Rare-earth intensity trials
|
JUDD, BRIAN R.
|
|
2003
|
|
7 |
p. 885-890
|
artikel
|
| 75 |
Reflections on the development of the Judd—Ofelt theory
|
OFELT, GEORGE S.
|
|
2003
|
|
7 |
p. 891-892
|
artikel
|
| 76 |
Reversible integrators for basic extended system molecular dynamics
|
SERGI, ALESSANDRO
|
|
1999
|
|
7 |
p. 825-832
|
artikel
|
| 77 |
Rotational energy relaxation in CH4 and CH4-He, Ar collisions calculated from coherent and stimulated Raman spectroscopy data
|
STREKALOV, MIKHAIL L.
|
|
2002
|
|
7 |
p. 1049-1056
|
artikel
|
| 78 |
Rotational relaxation rates in CO-He mixtures
|
BELIKOV, ANDREY E.
|
|
2001
|
|
7 |
p. 559-572
|
artikel
|
| 79 |
SAFT-D theory for hard sphere and hard disc chain fluids
|
KUSHWAHA, K.B.
|
|
1999
|
|
7 |
p. 907-912
|
artikel
|
| 80 |
Solid-liquid phase transition in small water clusters: a molecular dynamics simulation study
|
EGOROV, ANDREI V.
|
|
2002
|
|
7 |
p. 941-951
|
artikel
|
| 81 |
Solvent effects on model telechelic polymers
|
GARCIA-CUELLAR, ALEJANDRO J.
|
|
1999
|
|
7 |
p. 1063-1074
|
artikel
|
| 82 |
Some properties of electronic non-adiabatic coupling terms
|
AVERY, JOHN
|
|
2002
|
|
7 |
p. 1011-1015
|
artikel
|
| 83 |
Some unexpected proportionalities between components of the spin—other-orbit interaction in the f shell
|
HANSEN, JØRGEN E.
|
|
2003
|
|
7 |
p. 997-1000
|
artikel
|
| 84 |
Spectral intensities of U3+ ions doped in LaCl3 single crystals
|
KARBOWIAK, MIROSŁAW
|
|
2003
|
|
7 |
p. 971-975
|
artikel
|
| 85 |
Spectroscopic studies of the lanthanide(III) ions with pyridine carboxylic acid N-oxide ligands and in mixed ligand complexes
|
LIS, S.
|
|
2003
|
|
7 |
p. 977-981
|
artikel
|
| 86 |
Statistical geometry of hard sphere systems: exact relations for first-order phase transitions in multicomponent systems
|
BOWLES, RICHARD K.
|
|
2000
|
|
7 |
p. 429-438
|
artikel
|
| 87 |
Structural and response functions at equilibrium in path-integral quantum simple fluids
|
SESE, LUIS M.
|
|
2002
|
|
7 |
p. 927-940
|
artikel
|
| 88 |
Structure and melting of Morse solids
|
SHAH, POOJA
|
|
2001
|
|
7 |
p. 573-583
|
artikel
|
| 89 |
Structure and tension of interfaces
|
WIDOM, B.
|
|
1999
|
|
7 |
p. 1019-1026
|
artikel
|
| 90 |
Substituent and ring effects on enthalpies of formation: 2-methyl- and 2-ethylbenzimidazoles versus benzene- and imidazole-derivatives
|
Jimenez, Pilar
|
|
2004
|
|
7 |
p. 711-721
|
artikel
|
| 91 |
Symmetry, effective operators and Judd-Ofelt theory
|
WYBOURNE, BRIAN G.
|
|
2003
|
|
7 |
p. 899-901
|
artikel
|
| 92 |
40th Anniversary of judd-Ofelt Theory
|
|
|
2003
|
|
7 |
p. 879
|
artikel
|
| 93 |
The molecular asymmetric rigid rotor Hamiltonian as an exactly solvable model
|
Jarvis1, P.D.
|
|
2008
|
|
7 |
p. 955-961
|
artikel
|
| 94 |
Theoretical calculation of the rotational structure of the (0, 0) and (0, 1) bands of the [image omitted] system of N2
|
Lavin, C.
|
|
2008
|
|
7 |
p. 929-935
|
artikel
|
| 95 |
Theoretical prediction of the second to fourth actinide ionization potentials
|
CAO, XIAOYAN
|
|
2003
|
|
7 |
p. 961-969
|
artikel
|
| 96 |
Theoretical pressure and dielectric second virial coefficients of CO-Ar
|
Cacheiro, Javier Lopez
|
|
2008
|
|
7 |
p. 881-892
|
artikel
|
| 97 |
Theoretical study of ground and excited state potential energy surfaces for the Ca+-H2 complex
|
CZUCHAJ, E.
|
|
2000
|
|
7 |
p. 419-427
|
artikel
|
| 98 |
Theoretical study of mechanisms for NCO with CH3 reaction
|
Pan, Ya-Ru
|
|
2008
|
|
7 |
p. 921-927
|
artikel
|
| 99 |
The power and limits of the Judd—Ofelt theory: a case of Pr3+ and Tm3+ acetates and dipicolinates
|
MONDRY, ANNA
|
|
2003
|
|
7 |
p. 923-934
|
artikel
|
| 100 |
The rotational spectrum of 2-indanone
|
BLANCO, S.
|
|
1999
|
|
7 |
p. 853-858
|
artikel
|
| 101 |
The stability limit of the fluid phase of polydisperse sticky spheres
|
SEAR, RICHARD P.
|
|
1999
|
|
7 |
p. 1013-1017
|
artikel
|
| 102 |
The theory of nuclear orientation via electron spin locking (NOVEL)
|
Henstra, A.
|
|
2008
|
|
7 |
p. 859-871
|
artikel
|
| 103 |
The thermal diffusion factor of Ar-CO2 mixtures: new measurements and comparison with quantum calculations
|
GIANTURCO, F.A.
|
|
1999
|
|
7 |
p. 869-880
|
artikel
|
| 104 |
Two-dimensional nutation exchange NQR spectroscopy: direct determination of rotational angles
|
SINYAVSKY, N.
|
|
2002
|
|
7 |
p. 971-979
|
artikel
|
| 105 |
Using the local density approximation and the LYP, BLYP and B3LYP functionals within reference-state one-particle density-matrix theory
|
Finley, James P.
|
|
2004
|
|
7 |
p. 627-639
|
artikel
|
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