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- Currently displaying 20681 - 20700 of 31138 publications
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 V. The v1, v3 and v5 bands of ethylene
Molecular Physics
(2006)
33
1589
(doi: 10.1080/00268977700101331)
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)
Evaluation of anisotropic model intermolecular pair potentials using anab initioSCF-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)
Desolvation tips the balance: Solvent effects on aromatic interactions
Chemical Communications
(2006)
3806
(doi: 10.1039/b608165g)
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)
Two-group model for the Rayleigh and Raman circular intensity differential—formulation for general geometries
Molecular Physics
(2006)
33
293
(doi: 10.1080/00268977700103241)
Monte carlo study of the isotropic and nematic phases of infinitely thin hard platelets
Molecular Physics
(2006)
52
1303
(doi: 10.1080/00268978400101951)
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
Molecular Physics
(2006)
87
159
(doi: 10.1080/00268979650027702)
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 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)
Theory and applications of spin-restricted open-shell Møller-Plesset theory
Molecular Physics
(2006)
79
777
(doi: 10.1080/00268979300101621)
The stability of the AB13 crystal in a binary hard sphere system
Molecular Physics
(2006)
79
105
(doi: 10.1080/00268979300101101)
Quadrature schemes for integrals of density functional theory
Molecular Physics
(2006)
78
997
(doi: 10.1080/00268979300100651)