A new algorithm for molecular dynamics simulations in the grand canonical ensembleVEGA, L. F; SHING, K. S; RULL, L. F et al.Molecular physics (Print). 1994, Vol 82, Num 3, pp 439-453, issn 0026-8976Article

Ab initio potential energy curves and binding energies of Ar₂ and Mg₂FU-MING TAO; YUH-KANG PAN.Molecular physics (Print). 1994, Vol 81, Num 3, pp 507-518, issn 0026-8976Article

Accurate electron densities from the Hiller-Sucher-Feinberg identity applied to constrained wavefunctionsCHALLACOMBE, M; CIOSLOWSKI, J.Molecular physics (Print). 1994, Vol 83, Num 1, pp 171-181, issn 0026-8976Article

Adiabatic potential of the system of two equivalent vibronic centres with common atoms. I: One-centre-coordinate approachCHIBOTARU, L. F.Molecular physics (Print). 1994, Vol 81, Num 4, pp 873-889, issn 0026-8976Article

Adiabatic potential of the system of two equivalent vibronic centres with common atoms. II: Equilibrium nuclear configurations of the bioctahedral systemsCHIBOTARU, L. F.Molecular physics (Print). 1994, Vol 81, Num 4, pp 891-920, issn 0026-8976Article

An X-ray diffraction study of liquid chlorineANDREANI, C; COLOGNESI, D; FILABOZZI, A et al.Molecular physics (Print). 1994, Vol 82, Num 6, pp 1181-1186, issn 0026-8976Article

Atom-atom potential energy calculations for the absorption of cations in muscovitePAVLIDES, P; CATLOW, C. R. A.Molecular physics (Print). 1994, Vol 81, Num 6, pp 1269-1279, issn 0026-8976Article

Calculation of second virial coefficients of alkanes with the MM2 and MM3 force fieldsNAGY, J; SMITH, V. H; WEAVER, D. F et al.Molecular physics (Print). 1994, Vol 81, Num 5, pp 1039-1047, issn 0026-8976Article

Comparison of electron density functional modelsHOFFMAN, G. G; PRATT, L. R.Molecular physics (Print). 1994, Vol 82, Num 2, pp 245-261, issn 0026-8976Article

Coupled wavepackets study of the dynamics of a model ion-molecule charge exchangeAGUILLON, F; SIDIS, V; GAUYACQ, J. P et al.Molecular physics (Print). 1994, Vol 81, Num 1, pp 169-198, issn 0026-8976Article

Depolarization-density tuning in supracritical solutions of methane-carbon dioxideROSE, E. J; BAGLIN, F. G.Molecular physics (Print). 1994, Vol 81, Num 5, pp 1049-1058, issn 0026-8976Article

Dielectric study of partially isotope-substituted solid and liquid hydrogen and methaneBÖHMER, R; GIEBENHAIN, U; LOIDL, A et al.Molecular physics (Print). 1994, Vol 82, Num 3, pp 531-538, issn 0026-8976Article

Effective oscillator strengths and transition energies for the hydrogen molecular ionBABB, J. F.Molecular physics (Print). 1994, Vol 81, Num 1, pp 17-29, issn 0026-8976Article

Energies and widths of the quasibound levels of the HD⁺ moleculeORLIKOWSKI, T.Molecular physics (Print). 1994, Vol 81, Num 3, pp 667-673, issn 0026-8976Article

Formulae for the first and second derivatives of anisotropic potentials with respect to geometrical parametersPOPELLIER, P. L. A; STONE, A. J.Molecular physics (Print). 1994, Vol 82, Num 2, pp 411-425, issn 0026-8976Article

Free energy calculations for Lennard-Jones systems and water using the expanded ensemble method : a Monte Carlo and molecular dynamics simulation studyLYUBARTSEV, A. P; LAAKSONEN, A; VORONTSOV-VELYAMINOV, P. N et al.Molecular physics (Print). 1994, Vol 82, Num 3, pp 455-471, issn 0026-8976Article

Ideal chemical potential contribution in molecular dynamics simulations of the grand canonical ensembleWEERASINGHE, S; PETTITT, B. M.Molecular physics (Print). 1994, Vol 82, Num 5, pp 897-912, issn 0026-8976Article

Measurement of the first excited bending state of Ar-CO using a new concentration modulation technique in the jetHAVENITH, M; HILPERT, G; PETRI, M et al.Molecular physics (Print). 1994, Vol 81, Num 4, pp 1003-1010, issn 0026-8976Article

Molecular dynamics study of an isomerizing triatomic in solutionWEISS, S.Molecular physics (Print). 1994, Vol 81, Num 6, pp 1281-1288, issn 0026-8976Article

Molecular order and dynamics of the nematogen MBBA. Modelling of deuterium NMR observablesDONG, R. Y; FRISEN, L; RICHARDS, G. M et al.Molecular physics (Print). 1994, Vol 81, Num 5, pp 1017-1038, issn 0026-8976Article

NMR relaxation in ethanol and propanol and in their binary mixtures with carbon tetrachlorideLUDWIG, R; ZEIDLER, M. D.Molecular physics (Print). 1994, Vol 82, Num 2, pp 313-323, issn 0026-8976Article

Neutron diffraction study of heavy water steamBUONTEMPO, U; POSTORINO, P; RICCI, M. A et al.Molecular physics (Print). 1994, Vol 81, Num 1, pp 217-225, issn 0026-8976Article

On the damped multipole expansion of the induction energy in H₂⁺FIGARI, G; COSTA, C; SICILIANO, A et al.Molecular physics (Print). 1994, Vol 81, Num 4, pp 991-1002, issn 0026-8976Article

On the magnetic shielding anisotropy at the lithium sites of zeolite Li₄Na₈ASCHIMICZEK, B; GRETH, R; BODDENBERG, B et al.Molecular physics (Print). 1994, Vol 82, Num 2, pp 369-382, issn 0026-8976Article

Overall rotation along a reaction pathCHAPUISAT, X; NAUTS, A.Molecular physics (Print). 1994, Vol 82, Num 6, pp 1131-1150, issn 0026-8976Article