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- Currently displaying 20281 - 20300 of 30729 publications
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
Molecular Physics
(2006)
40
805
(doi: 10.1080/00268978000101901)
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)
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
Molecular Physics
(2006)
52
1304
(doi: 10.1080/00268978400101951)
Molecular motion in a model of liquid acetonitrile
Molecular Physics
(2006)
51
761
(doi: 10.1080/00268978400100501)
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)
X-ray scattering study of the effect of hydration on the cross-beta structure of amyloid fibrils.
J Am Chem Soc
(2006)
128
11738
(doi: 10.1021/ja063751v)
A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis
Molecular Physics
(2006)
51
569
(doi: 10.1080/00268978400100401)
THE PAIR POLARIZABILITY ANISOTROPY OF SF6 IN THE POINT-ATOM-POLARIZABILITY APPROXIMATION
Molecular Physics
(2006)
40
643
(doi: 10.1080/00268978000101761)
Desolvation tips the balance: solvent effects on aromatic interactions.
Chemical Communications
(2006)
3806
(doi: 10.1039/b608165g)
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
Molecular Physics
(2006)
48
1093
(doi: 10.1080/00268978300100781)
Theory and applications of spin-restricted open-shell Møller-Plesset theory
Molecular Physics
(2006)
79
777
(doi: 10.1080/00268979300101621)
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
Molecular Physics
(2006)
72
679
(doi: 10.1080/00268979100100501)
A Monte Carlo study of semi-dilute hard sphere mixtures
Molecular Physics
(2006)
48
891
(doi: 10.1080/00268978300100641)
A rescaled MSA structure factor for dilute charged colloidal dispersions
Molecular Physics
(2006)
46
651
(doi: 10.1080/00268978200101471)
The vibrational levels of C2H2using an internal coordinate vibrational hamiltonian
Molecular Physics
(2006)
53
1033
(doi: 10.1080/00268978400102831)
Free energy calculations for solid solutions by computer simulations
Molecular Physics
(2006)
72
699
(doi: 10.1080/00268979100100511)
Coordination modes of pyridine-carboxylic acid derivatives in samarium (III) complexes
Polyhedron
(2006)
25
2471
(doi: 10.1016/j.poly.2006.03.002)
Pressure dependence of the electrical properties of amorphous phosphorus prepared by chemical transport in a low-pressure hydrogen plasma
Philosophical Magazine B
(2006)
43
485
(doi: 10.1080/01418638108222111)
Structure and energetics of model symmetric and asymmetric decahedra
Philosophical Magazine B Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
(2006)
65
1079
(doi: 10.1080/13642819208217922)
