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- Currently displaying 20181 - 20200 of 30657 publications
Determination of derivatives of the polarizability anisotropy in diatomic molecules
Molecular Physics
(2006)
43
963
(doi: 10.1080/00268978100101791)
A new basis set for molecular wavefunctions
Molecular Physics
(2006)
26
715
(doi: 10.1080/00268977300102031)
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
Molecular Physics
(2006)
23
853
(doi: 10.1080/00268977200100851)
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
Molecular Physics
(2006)
49
503
(doi: 10.1080/00268978300101331)
Monte carlo study of the isotropic and nematic phases of infinitely thin hard platelets
Molecular Physics
(2006)
52
1303
(doi: 10.1080/00268978400101951)
Evaluation of anisotropic model intermolecular pair potentials using anab initioSCF-CI surface
Molecular Physics
(2006)
40
805
(doi: 10.1080/00268978000101901)
Quadrature schemes for integrals of density functional theory
Molecular Physics
(2006)
78
997
(doi: 10.1080/00268979300100651)
The stability of the AB13 crystal in a binary hard sphere system
Molecular Physics
(2006)
79
105
(doi: 10.1080/00268979300101101)
Theory and applications of spin-restricted open-shell Møller-Plesset theory
Molecular Physics
(2006)
79
777
(doi: 10.1080/00268979300101621)
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
Molecular Physics
(2006)
87
159
(doi: 10.1080/00268979650027702)
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
Molecular Physics
(2006)
51
569
(doi: 10.1080/00268978400100401)
Molecular motion in a model of liquid acetonitrile
Molecular Physics
(2006)
51
761
(doi: 10.1080/00268978400100501)
Free energy calculations for solid solutions by computer simulations
Molecular Physics
(2006)
72
699
(doi: 10.1080/00268979100100511)
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
Molecular Physics
(2006)
72
679
(doi: 10.1080/00268979100100501)
Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry
Molecular Physics
(2006)
52
987
(doi: 10.1080/00268978400101721)
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
Molecular Physics
(2006)
46
177
(doi: 10.1080/00268978200101171)
A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule
Molecular Physics
(2006)
52
1367
(doi: 10.1080/00268978400101981)
Motional narrowing in the v 1/2v 2 Fermi resonance diad of CO2
Molecular Physics
(2006)
45
1291
(doi: 10.1080/00268978200101001)
A rescaled MSA structure factor for dilute charged colloidal dispersions
Molecular Physics
(2006)
46
651
(doi: 10.1080/00268978200101471)
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
Molecular Physics
(2006)
48
1093
(doi: 10.1080/00268978300100781)