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- Currently displaying 20661 - 20680 of 31130 publications
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)
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
Molecular Physics
(2006)
65
143
(doi: 10.1080/00268978800100911)
Simulation of the adhesive-hard-sphere model
Molecular Physics
(2006)
64
403
(doi: 10.1080/00268978800100303)
An Experiment in Crystal Structure Prediction by Popular Vote
Crystal Growth & Design
(2006)
6
1985
(doi: 10.1021/cg060313r)
Raman spectra of asymmetric top molecules. Part IV. Vibration-rotation selection rules and general band contours
Molecular Physics
(2006)
33
1571
(doi: 10.1080/00268977700101321)
Raman spectra of asymmetric top molecules. Part V. The v1, v3 and v5 bands of ethylene
Molecular Physics
(2006)
33
1589
(doi: 10.1080/00268977700101331)
2-GROUP MODEL FOR RAYLEIGH AND RAMAN CIRCULAR INTENSITY DIFFERENTIAL-FORMULATION FOR GENERAL GEOMETRIES
Molecular Physics
(2006)
33
293
(doi: 10.1080/00268977700103241)
The pair polarizability anisotropy of SF6in the point-atom-polarizability approximation
Molecular Physics
(2006)
40
643
(doi: 10.1080/00268978000101761)
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
Molecular Physics
(2006)
40
805
(doi: 10.1080/00268978000101901)
A new approach to bonding in transition metal clusters
Molecular Physics
(2006)
41
1339
(doi: 10.1080/00268978000103581)
Motional narrowing in the v1/2v2 fermi resonance diad of CO2
Molecular Physics
(2006)
45
1291
(doi: 10.1080/00268978200101001)
A variational method for the calculation of vibrational levels of any triatomic molecule
Molecular Physics
(2006)
47
1445
(doi: 10.1080/00268978200101082)
The anisotropy of the Cl2−Cl2pair potential as shown by the crystal structure Evidence for intermolecular bonding or lone pair effects?
Molecular Physics
(2006)
47
1457
(doi: 10.1080/00268978200101092)
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
Molecular Physics
(2006)
46
177
(doi: 10.1080/00268978200101171)
A rescaled MSA structure factor for dilute charged colloidal dispersions
Molecular Physics
(2006)
46
651
(doi: 10.1080/00268978200101471)
A Monte Carlo study of semi-dilute hard sphere mixtures
Molecular Physics
(2006)
48
891
(doi: 10.1080/00268978300100641)
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
Molecular Physics
(2006)
48
1093
(doi: 10.1080/00268978300100781)
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
Molecular Physics
(2006)
51
569
(doi: 10.1080/00268978400100401)