| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A local picture associated with a triply degenerate vibrational mode: vibrational and rovibrational local states
|
BOUJUT, V.
|
|
1998
|
93 |
6 |
p. 879-885
|
artikel
|
| 2 |
ANNOUNCEMENT
|
Carrington, Alan
|
|
1998
|
93 |
6 |
p. 851
|
artikel
|
| 3 |
A refined potential energy surface and the rovibrational states for the electronic ground state of ozone
|
YAN, GUOSEN
|
|
1998
|
93 |
6 |
p. 867-872
|
artikel
|
| 4 |
BSSE-free second order intermolecular perturbation theory II. Sample calculations on hydrogen-bonded complexes
|
VIBOK, A.
|
|
1998
|
93 |
6 |
p. 873-877
|
artikel
|
| 5 |
Computer simulation of the far infrared collision induced absorption spectra of gaseous CO2
|
GRUSZKA, MARCIN
|
|
1998
|
93 |
6 |
p. 1007-1016
|
artikel
|
| 6 |
Enhanced effect of magnetic field gradients using multiple quantum NMR spectroscopy applied to self-diffusion coefficient measurement
|
LIU, MAILI
|
|
1998
|
93 |
6 |
p. 913-920
|
artikel
|
| 7 |
Generalized Langevin dynamics simulation: numerical integration and application of the generalized Langevin equation with an exponential model for the friction kernel
|
WAN, SHUN ZHOU
|
|
1998
|
93 |
6 |
p. 901-912
|
artikel
|
| 8 |
Index of Authors
|
|
|
1998
|
93 |
6 |
p. 1017-1021
|
artikel
|
| 9 |
Investigation of the orientational correlation of the molecules in liquid H2S with reverse Monte Carlo simulation
|
JEDLOVSZKY, PAL
|
|
1998
|
93 |
6 |
p. 939-946
|
artikel
|
| 10 |
Liquid acetone and chloroform: a comparison between Monte Carlo simulation, molecular Ornstein-Zernike theory, and site-site Ornstein-Zernike theory
|
RICHARDI, J.
|
|
1998
|
93 |
6 |
p. 925-938
|
artikel
|
| 11 |
Modelling Cu, Ag and Au surfaces using empirical potentials
|
COX, HAZEL
|
|
1998
|
93 |
6 |
p. 921-924
|
artikel
|
| 12 |
Molecular dynamics simulations of liquid crystal phases using atomistic potentials
|
MCBRIDE, CARL
|
|
1998
|
93 |
6 |
p. 955-964
|
artikel
|
| 13 |
On the description of potential energy surfaces exhibiting conical intersections: a compact representation of the energies and derivative couplings and locally diabatic bases for the HOH and OHH portions of the 11A'-21A' seam of conical intersection in water
|
YARKONY, DAVID R.
|
|
1998
|
93 |
6 |
p. 971-983
|
artikel
|
| 14 |
Phase diagrams for hard disc mixtures
|
WHEATLEY, RICHARD J.
|
|
1998
|
93 |
6 |
p. 965-969
|
artikel
|
| 15 |
Potential energy function and vibrational states of HN3 and DN3
|
ROSENSTOCK, MATTHIAS
|
|
1998
|
93 |
6 |
p. 853-865
|
artikel
|
| 16 |
Symmetrized rovibrational local states for triply degenerate modes of spherical molecules: application to intensity calculations in the v3 ladder
|
BOUJUT, V.
|
|
1998
|
93 |
6 |
p. 887-900
|
artikel
|
| 17 |
The X˜2Π and A2Σ states of FCN+ and ClCN+: ab initio calculations and simulation of the He I photoelectron spectra of FCN and ClCN
|
WANG, DE-CHAO
|
|
1998
|
93 |
6 |
p. 995-1005
|
artikel
|
| 18 |
Transferability of first principles derived torsional potentials for mesogenic molecules and fragments
|
ADAM, C.J.
|
|
1998
|
93 |
6 |
p. 947-954
|
artikel
|
| 19 |
Translational and rotational diffusion of dilute solid amorphous spherical nanocolloids by molecular dynamics simulation
|
HEYES, D.M.
|
|
1998
|
93 |
6 |
p. 985-994
|
artikel
|
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