| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Absolute line wavenumbers in the near infrared: 12C2H2 and 12C16O2
|
VANDER AUWERA, J.
|
|
2002
|
|
22 |
p. 3563-3576
|
article
|
| 2 |
An ab initio molecular orbital study of the electronically excited and cationic states of the ozone molecule and a comparison with spectral data
|
PALMER, MICHAEL H.
|
|
2002
|
|
22 |
p. 3601-3614
|
article
|
| 3 |
A new approximate bridge function for pure fluids
|
BOMONT, J.M.
|
|
2003
|
|
22 |
p. 3249-3261
|
article
|
| 4 |
An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach
|
BLAS, FELIPE J.
|
|
2001
|
|
22 |
p. 1851-1865
|
article
|
| 5 |
Application of the density functional method to study phase transitions in an associating Lennard-Jones fluid adsorbed in energetically heterogeneous slit-Like pores
|
HUERTA, ADRIAN
|
|
2002
|
|
22 |
p. 1859-1869
|
article
|
| 6 |
Assignment of a perturbation in the FT-ICLAS spectrum of 12C2H2 around 12 709.5 cm-1
|
HURTMANS, D.
|
|
2002
|
|
22 |
p. 3507-3511
|
article
|
| 7 |
Calculations of the far-infrared emission of C24H12 under interstellar conditions
|
JOBLIN, C.
|
|
2002
|
|
22 |
p. 3595-3600
|
article
|
| 8 |
Editorial Board
|
|
|
2003
|
|
22 |
p. 1
|
article
|
| 9 |
Editorial Board
|
|
|
2002
|
|
22 |
p. 1
|
article
|
| 10 |
Editorial Board
|
|
|
2001
|
|
22 |
p. 1
|
article
|
| 11 |
Effect of halogen atom on electron spin polarization studied by CIDEP, using halogen substituted aromatic acyl compounds
|
SUZUKI, TOSHIAKI
|
|
2003
|
|
22 |
p. 3341-3348
|
article
|
| 12 |
Efficient determination of Hugoniot states using classical molecular simulation techniques
|
BRENNAN, JOHN K.
|
|
2003
|
|
22 |
p. 3309-3322
|
article
|
| 13 |
Hard discs in circular cavities: density functional theory versus simulation
|
KIM, SOON-CHUL
|
|
2001
|
|
22 |
p. 1875-1881
|
article
|
| 14 |
High-resolution FTIR spectra of CH2 = CClF in the 930-1050 cm-1 region
|
CHARMET, A.PIETROPOLLI
|
|
2002
|
|
22 |
p. 3529-3534
|
article
|
| 15 |
High resolution FTIR spectroscopy of CH2DF: analysis of the v3 and v4 interacting bands
|
BALDACCI, A.
|
|
2002
|
|
22 |
p. 3577-3583
|
article
|
| 16 |
Improving the sampling efficiency of Monte Carlo molecular simulations: an evolutionary approach
|
LEBLANC, BENOIT
|
|
2003
|
|
22 |
p. 3293-3308
|
article
|
| 17 |
Intermolecular and intramolecular contributions to the relaxation process in sorbitol and maltitol
|
SIXOU, B.
|
|
2001
|
|
22 |
p. 1845-1850
|
article
|
| 18 |
Intermolecular potential and equilibrium orientational states for dimers of non-polar molecules
|
ROZENBAUM, V.M.
|
|
2001
|
|
22 |
p. 1883-1897
|
article
|
| 19 |
Mixing and phase separation in molecular fluid mixtures
|
ALI, I.
|
|
2003
|
|
22 |
p. 3239-3247
|
article
|
| 20 |
Molecular dynamics simulations of binary mixtures of methane and hydrogen in zeolite A and a novel zinc phosphate
|
MITCHELL, MARTHA C.
|
|
2001
|
|
22 |
p. 1831-1837
|
article
|
| 21 |
Monte Carlo simulations of thermodynamic properties of argon, krypton and xenon in liquid and gas state using new ab initio pair potentials
|
MALIJEVSKY, ALEXANDR
|
|
2003
|
|
22 |
p. 3335-3340
|
article
|
| 22 |
O2 broadening of carbon disulphide 12C32S2 in the v3 and v3—v1 bands
|
LEROT, CHRISTOPHE
|
|
2002
|
|
22 |
p. 3521-3527
|
article
|
| 23 |
On the role of the definition of potential models in Gibbs ensemble phase equilibria simulations of the H2S-pentane mixture
|
DELHOMMELLE, JEROME
|
|
2002
|
|
22 |
p. 1895-1905
|
article
|
| 24 |
Parallelized sampling of the Gibbs ensemble
|
STRNAD, MARTIN
|
|
2002
|
|
22 |
p. 1887-1894
|
article
|
| 25 |
Quantitative structure activity relationship (QSAR) of competitive N-methyl-D-aspartate (NMDA) antagonists
|
KORKUT, ANIL
|
|
2003
|
|
22 |
p. 3285-3291
|
article
|
| 26 |
Quantum states of hydrogen transfer and vibration in malonaldehyde
|
MEYER, ROLF
|
|
2003
|
|
22 |
p. 3263-3276
|
article
|
| 27 |
Reduction of wavenumbers of pure rotational and vibration-rotational transitions of KrH+ X1Σ+ to parameters of radial functions
|
MOLSKI, MARCIN
|
|
2002
|
|
22 |
p. 3545-3552
|
article
|
| 28 |
RICHARD BARROW
|
MILLS, IAN
|
|
2002
|
|
22 |
p. 1857
|
article
|
| 29 |
Rotational spectrum, dynamics and bond energy of 2,5-dihydrofuran—krypton van der Waals complex
|
VELINO, BIAGIO
|
|
2002
|
|
22 |
p. 1919-1924
|
article
|
| 30 |
Seventeenth Colloquium on High Resolution Molecular Spectroscopy
|
FLAUD, JEAN-MARIE
|
|
2002
|
|
22 |
p. 3483
|
article
|
| 31 |
Spectral moments of the rotational correlation functions for the first- and second-rank tensors of asymmetric top molecules
|
KALMYKOV, Y.P.
|
|
2002
|
|
22 |
p. 1907-1918
|
article
|
| 32 |
Structure and dynamics of water confined in a nanoporous sol-gel silica glass: a neutron scattering study
|
CRUPI, V.
|
|
2003
|
|
22 |
p. 3323-3333
|
article
|
| 33 |
Test of rate theory transmission coefficient algorithms. An application to ion channels
|
WHITE, GEORGE W. N.
|
|
2002
|
|
22 |
p. 1871-1885
|
article
|
| 34 |
The accurate determination of magnetic hyperfine and Zeeman parameters for 2II diatomic molecules from experimental data
|
TAMASSIA, FILIPPO
|
|
2002
|
|
22 |
p. 3485-3492
|
article
|
| 35 |
The anharmonic force field of cis-1-chloro-2-fluoroethylene
|
GAMBI, ALBERTO
|
|
2002
|
|
22 |
p. 3535-3543
|
article
|
| 36 |
The rotational dynamics of rigid bodies implemented with the Cayley Klein parametrization
|
COTTINGHAM, W.N.
|
|
2001
|
|
22 |
p. 1839-1843
|
article
|
| 37 |
The stretching fundamental bands of 13C2D2
|
BERMEJO, D.
|
|
2002
|
|
22 |
p. 3493-3497
|
article
|
| 38 |
The thymine radicals and their respective anions: molecular structures and electron affinities
|
PROFETA, LUISA T. M.
|
|
2003
|
|
22 |
p. 3277-3284
|
article
|
| 39 |
The 5v3 bands of 18O enriched ozone: line positions of 16O16O18O, 16O18O16O, 16O18O18O and 18O16O18O
|
DE BACKER-BARILLY, M.R.
|
|
2002
|
|
22 |
p. 3499-3506
|
article
|
| 40 |
Three-photon absorption spectroscopy: the L(1Φ3) and m(3II1) states of HCl and DCl
|
KVARAN, AGUST
|
|
2002
|
|
22 |
p. 3513-3519
|
article
|
| 41 |
Towards simulation of high temperature methane spectra
|
BORYSOV, A.
|
|
2002
|
|
22 |
p. 3585-3594
|
article
|
| 42 |
Tunnelling splittings in the high resolution microwave and UV spectra of the benzonitrile—water complex: modelling the internal motion in its S0 and S1 states
|
SCHAFER, MARTIN
|
|
2002
|
|
22 |
p. 3553-3562
|
article
|
| 43 |
Vibrational structure and predissociation rates of the He-O2 vander Waals complex
|
JUNG, JAEHOON
|
|
2001
|
|
22 |
p. 1867-1873
|
article
|
Journal description