| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and RRKM studies of decomposition and interconversion pathways of ClCH2OH and CH3OCl isomeric species
|
DROUGAS, EVANGELOS
|
|
2002
|
|
16 |
p. 2653-2658
|
artikel
|
| 2 |
Ab initio MRD-CI investigation of the electronic spectrum of 1-chloromethyl hypochlorite ClCH2OCl in comparison with isomeric dichloromethanol Cl2CHOH
|
MUHLHAUSER, MAX
|
|
2002
|
|
16 |
p. 2719-2725
|
artikel
|
| 3 |
Ageing exploration of the energy landscape of a glass by the TSDC technique
|
DESCAMPS, MARC
|
|
2002
|
|
16 |
p. 2669-2677
|
artikel
|
| 4 |
A generalized analytical theory for adsorption of fluids in nanoporous materials
|
KAMAT, MITHUN R.
|
|
2002
|
|
16 |
p. 2689-2701
|
artikel
|
| 5 |
A general method to obtain vibrational symmetry adapted bases in a local scheme
|
LEMUS, R.
|
|
2003
|
|
16 |
p. 2511-2528
|
artikel
|
| 6 |
Algebraic forms for the leading factor of the two-electron coefficients of fractional parentage for the atomic l shell
|
Judd, B. R.
|
|
2000
|
|
16 |
p. 1151-1157
|
artikel
|
| 7 |
An approximate multi-property empirical isotropic interatomic pair potential for the krypton dimer
|
EL-KADER, M.S. A.
|
|
2003
|
|
16 |
p. 2615-2624
|
artikel
|
| 8 |
An investigation of the structure of free-base porphycene by time-resolved electron nuclear double resonance and density functional theory on the photoexcited triplet state
|
KAY, C.W. M.
|
|
2001
|
|
16 |
p. 1413-1420
|
artikel
|
| 9 |
Applicability of partial monomer volumes derived from the regular solution theory
|
RANE, SAGAR S.
|
|
2003
|
|
16 |
p. 2533-2536
|
artikel
|
| 10 |
A review of intercombination lines in beryllium-like ions
|
Brage, T.
|
|
2000
|
|
16 |
p. 1057-1065
|
artikel
|
| 11 |
A simulation study of films of n-hexane and n-perfluorohexane on a solid surface
|
VASILYUK, A.N.
|
|
2001
|
|
16 |
p. 1407-1411
|
artikel
|
| 12 |
Calculation of the potential energy curves of the HgZn dimer
|
Bieron, Jacek
|
|
2000
|
|
16 |
p. 1051-1055
|
artikel
|
| 13 |
Can MBPT and QED be merged in a systematic way?
|
Lingdren, Ingvar
|
|
2000
|
|
16 |
p. 1159-1174
|
artikel
|
| 14 |
Charge radii in francium isotopes
|
MÅrtensson-Pendrill, Ann-Marie
|
|
2000
|
|
16 |
p. 1201-1204
|
artikel
|
| 15 |
Charlotte Froese Fischer: List of Publications
|
|
|
2000
|
|
16 |
p. 1245-1251
|
artikel
|
| 16 |
Combined Raman scattering and ab initio investigation of the interaction between pyrene and carbon SWNT
|
STEPANIAN, S.G.
|
|
2003
|
|
16 |
p. 2609-2614
|
artikel
|
| 17 |
Coupled N-dimensional harmonic oscillator systems
|
Burrows, B. L.
|
|
2000
|
|
16 |
p. 1083-1088
|
artikel
|
| 18 |
Density functional theory and the computation of vibrational spectra of reactive organic species
|
Hess, B. Andes
|
|
2000
|
|
16 |
p. 1107-1115
|
artikel
|
| 19 |
Density functional theory study of homologous organometallic molecules of the [RhXL2]2 (X = Cl, Br, or I; L = CO, PH3, or PF3) type
|
SEURET, P.
|
|
2003
|
|
16 |
p. 2537-2543
|
artikel
|
| 20 |
Determination of the Maier-Saupe strength parameter from dielectric relaxation experiments: a molecular dynamics simulation study
|
BATES, MARTIN A.
|
|
2001
|
|
16 |
p. 1365-1371
|
artikel
|
| 21 |
Dielectric relaxation of α-cyclodextrin-polyiodide complexes (α-cyclodextrin)2 · BaI2 · I2 · 8H2O and (α-cyclodextrin)2 · KI3 · I2 · 8H2O
|
PAPAIOANNOU, JOHN C.
|
|
2003
|
|
16 |
p. 2601-2608
|
artikel
|
| 22 |
Editorial
|
Smentek, Lidia
|
|
2000
|
|
16 |
p. 1041-1042
|
artikel
|
| 23 |
Editorial Board
|
|
|
2003
|
|
16 |
p. 1
|
artikel
|
| 24 |
Editorial Board
|
|
|
2001
|
|
16 |
p. 1
|
artikel
|
| 25 |
Editorial Board
|
|
|
2002
|
|
16 |
p. 1
|
artikel
|
| 26 |
Electronic transition of C3H- in the vicinity of the lowest photodetachment threshold
|
PACHKOV, M.
|
|
2001
|
|
16 |
p. 1397-1405
|
artikel
|
| 27 |
Excitation energies and transition rates in Be-, Mg-, and Zn-like ions
|
Safronova, U. I.
|
|
2000
|
|
16 |
p. 1213-1225
|
artikel
|
| 28 |
Field theoretical approach to inhomogeneous ionic systems: thermodynamic consistency with the contact theorem, Gibbs adsorption and surface tension
|
DI CAPRIO, D.
|
|
2003
|
|
16 |
p. 2545-2558
|
artikel
|
| 29 |
Gas—liquid interfaces of room temperature ionic liquids
|
LYNDEN-BELL, R.M.
|
|
2003
|
|
16 |
p. 2625-2633
|
artikel
|
| 30 |
Generalized coordinates molecular Hamiltonian
|
ISLAMPOUR, R.
|
|
2003
|
|
16 |
p. 2489-2496
|
artikel
|
| 31 |
Hund's rules, jj coupling and the gn electron configurations
|
Wybourne, Brian G.
|
|
2000
|
|
16 |
p. 1243-1244
|
artikel
|
| 32 |
Justification of relativistic Dirac-Hartree-Fock and configuration interaction
|
Bunge, Carlos F.
|
|
2000
|
|
16 |
p. 1067-1073
|
artikel
|
| 33 |
Kinetic and potential energy of isoelectronic atomic ions from density functional theory compared with exact values
|
Jarzecki, Andrzej A.
|
|
2000
|
|
16 |
p. 1089-1097
|
artikel
|
| 34 |
Laser spectroscopy of YBr: rotational analysis of the B1Π—X1Σ system
|
LEUNG, J.W.-H.
|
|
2002
|
|
16 |
p. 2665-2668
|
artikel
|
| 35 |
Manifestation of spin-orbit interactions in photoemission from free atoms
|
Caldwell, C. Denise
|
|
2000
|
|
16 |
p. 1075-1082
|
artikel
|
| 36 |
Microwave and infrared spectroscopy of the CH4—OCS complex
|
HEARN, J.PAUL I.
|
|
2002
|
|
16 |
p. 2679-2687
|
artikel
|
| 37 |
Microwave spectra and structure of an isoxazole-water complex
|
McGLONE, S.
|
|
2001
|
|
16 |
p. 1353-1364
|
artikel
|
| 38 |
Millimetre wave spectrum of the weakly bound complex NH3-N2
|
WALKER, KALEY A.
|
|
2001
|
|
16 |
p. 1391-1396
|
artikel
|
| 39 |
Minimal dipole charge for a dipole-bound dianion
|
SILANES, INAKI
|
|
2003
|
|
16 |
p. 2529-2532
|
artikel
|
| 40 |
Morphology of the f ? f intensity parameters
|
Smentek, Lidia
|
|
2000
|
|
16 |
p. 1233-1241
|
artikel
|
| 41 |
Numerical solutions of the orbital equations for diatomic molecules
|
Morrison, John C.
|
|
2000
|
|
16 |
p. 1175-1184
|
artikel
|
| 42 |
Onsager model for a variable dielectric permittivity near an interface
|
FINKEN, REIMAR
|
|
2003
|
|
16 |
p. 2559-2568
|
artikel
|
| 43 |
Pair approximation for polarization interaction and adiabatic nuclear and electronic sampling method for fluids with dipole polarizability
|
PREDOTA, MILAN
|
|
2002
|
|
16 |
p. 2703-2717
|
artikel
|
| 44 |
Particle tunnelling in the 7-azaindole dimer
|
VAN HISE, JAMES R.
|
|
2001
|
|
16 |
p. 1347-1351
|
artikel
|
| 45 |
Phase equilibria of confined liquid crystals
|
QUINTANA, JACQUELINE
|
|
2002
|
|
16 |
p. 2597-2604
|
artikel
|
| 46 |
Photochemical sensitization and magnetic field effect on ultrafine particle formation from a gaseous mixture of glyoxal and carbon disulphide
|
MORITA, HIROSHI
|
|
2003
|
|
16 |
p. 2569-2574
|
artikel
|
| 47 |
PMR studies of molecular motions, phase transitions and quantum tunnelling in NH4SnCl3 and N(CH3)4SnCl3
|
KUMARAN, S.SENTHIL
|
|
2001
|
|
16 |
p. 1373-1380
|
artikel
|
| 48 |
Reduced multireference coupled cluster method IV: open-shell systems
|
Li, Xiangzhu
|
|
2000
|
|
16 |
p. 1185-1199
|
artikel
|
| 49 |
Relativistic corrections for the vibration-rotation levels of the ground electronic state of the hydrogen molecular cation H+2
|
MOSS, R.E.
|
|
2003
|
|
16 |
p. 2635-2646
|
artikel
|
| 50 |
Reminiscences at the end of the Century
|
Fischer, Charlotte Froese
|
|
2000
|
|
16 |
p. 1043-1050
|
artikel
|
| 51 |
Resonance Raman investigation of the short-time dynamics of the ultraviolet photodissociation of bromoform
|
LI, YUN-LIANG
|
|
2002
|
|
16 |
p. 2659-2663
|
artikel
|
| 52 |
Second-order picture of correlation effects in closed-shell atoms
|
Flores, Jesus R.
|
|
2000
|
|
16 |
p. 1125-1139
|
artikel
|
| 53 |
Self-consistent field method in various approximations: 'forgotten ideas'
|
Rudzikas, Z.
|
|
2000
|
|
16 |
p. 1205-1212
|
artikel
|
| 54 |
Shear-induced effects on miscibility in polymer solutions
|
WANG, XIAOLING
|
|
2002
|
|
16 |
p. 2587-2595
|
artikel
|
| 55 |
Shear viscosity of a simple fluid over a wide range of strain rates
|
BORZSAK, ISTVAN
|
|
2002
|
|
16 |
p. 2735-2738
|
artikel
|
| 56 |
Single-file motion of polyatomic molecules in one-dimensional nanoporous materials
|
ADHANGALE, PARAG
|
|
2002
|
|
16 |
p. 2727-2733
|
artikel
|
| 57 |
Singular value decomposition of energy matrices in theoretical atomic structure calculations
|
Verbockhaven, Gilles
|
|
2000
|
|
16 |
p. 1117-1123
|
artikel
|
| 58 |
S matrix poles and the second virial coefficient
|
AMAYA-TAPIA, A.
|
|
2002
|
|
16 |
p. 2605-2615
|
artikel
|
| 59 |
Special Issue in High Resolution Molecular Spectroscopy
|
Meerts, W. Leo
|
|
2001
|
|
16 |
p. 1421
|
artikel
|
| 60 |
Stress anisotropy in liquid crystalline phases
|
DOMINGUEZ, HECTOR
|
|
2002
|
|
16 |
p. 2739-2744
|
artikel
|
| 61 |
Structures and stability of N13 cluster
|
LI, QIAN SHU
|
|
2003
|
|
16 |
p. 2481-2487
|
artikel
|
| 62 |
The bridge function of hard spheres by direct inversion of computer simulation data
|
KOLAFA, JIRI
|
|
2002
|
|
16 |
p. 2629-2640
|
artikel
|
| 63 |
The effective attractive potential in the non-retarded regime for molecules of dielectric materials via Lifshitz theory
|
CHEN, LAIWEN
|
|
2001
|
|
16 |
p. 1381-1389
|
artikel
|
| 64 |
The not-so-peculiar case of calcium oxide: a weakness in atomic natural orbital basis sets for calcium
|
Wesolowski, Steven S.
|
|
2000
|
|
16 |
p. 1227-1231
|
artikel
|
| 65 |
Theoretical determination of the magnetic properties of 2-pyrone and 4-pyrone, and o-benzoquinone and p-benzoquinone
|
LIGABUE, ANDREA
|
|
2003
|
|
16 |
p. 2497-2509
|
artikel
|
| 66 |
Theoretical determination of the vibrational levels of NH+3 and its isotopomers
|
LEONARD, CELINE
|
|
2001
|
|
16 |
p. 1335-1346
|
artikel
|
| 67 |
Theoretical investigation of magnetic parameters in two-dimensional sheets of pure organic BEDT-TTF and BETS molecules by using ab initio MO and DFT methods
|
KAWAKAMI, TAKASHI
|
|
2002
|
|
16 |
p. 2641-2652
|
artikel
|
| 68 |
Theoretical lifetimes and branching fractions of 2p4(3P)3d 4D7/2, 2F7/2 and 4F7/2 in Ne II
|
Godefroid, M. R.
|
|
2000
|
|
16 |
p. 1099-1106
|
artikel
|
| 69 |
Theoretical studies of isotope shifts, hyperfine structures and oscillator strengths in transitions between low-lying levels in O I
|
JOnsson, P.
|
|
2000
|
|
16 |
p. 1141-1149
|
artikel
|
| 70 |
Theoretical study of the photoelectron spectra of gaseous Cu3Cl3
|
KOREN, PATRICK R.
|
|
2001
|
|
16 |
p. 1329-1334
|
artikel
|
| 71 |
Understanding liquid-liquid immiscibility and LCST behaviour in polymer solutions with a Wertheim TPT1 description
|
PARICAUD, PATRICE
|
|
2003
|
|
16 |
p. 2575-2600
|
artikel
|
| 72 |
Viscosity and stress autocorrelation function in supercooled water: a molecular dynamics study
|
GUO, GUANG-JUN
|
|
2002
|
|
16 |
p. 2617-2627
|
artikel
|
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