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- Currently displaying 20381 - 20400 of 30846 publications
Simulation of the adhesive-hard-sphere model
Molecular Physics
(2006)
64
403
(doi: 10.1080/00268978800100303)
A new approach to bonding in transition metal clusters
Molecular Physics
(2006)
41
1339
(doi: 10.1080/00268978000103581)
Evaluation of anisotropic model intermolecular pair potentials using anab initioSCF-CI surface
Molecular Physics
(2006)
40
805
(doi: 10.1080/00268978000101901)
THE PAIR POLARIZABILITY ANISOTROPY OF SF6 IN THE POINT-ATOM-POLARIZABILITY APPROXIMATION
Molecular Physics
(2006)
40
643
(doi: 10.1080/00268978000101761)
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
Molecular Physics
(2006)
65
143
(doi: 10.1080/00268978800100911)
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
Molecular Physics
(2006)
72
679
(doi: 10.1080/00268979100100501)
Free energy calculations for solid solutions by computer simulations
Molecular Physics
(2006)
72
699
(doi: 10.1080/00268979100100511)
An Experiment in Crystal Structure Prediction by Popular Vote
Crystal Growth and Design
(2006)
6
1985
(doi: 10.1021/cg060313r)
Thermodynamic properties of binary hard sphere mixtures
Molecular Physics
(2006)
72
715
(doi: 10.1080/00268979100100521)
Towards an accurate intermolecular potential for water
Molecular Physics
(2006)
77
439
(doi: 10.1080/00268979200102541)
Rovibronic 2B1(Πu)-2A1 spectrum of the BH2 radical
Molecular Physics
(2006)
77
549
(doi: 10.1080/00268979200102611)
Quadrature schemes for integrals of density functional theory
Molecular Physics
(2006)
78
997
(doi: 10.1080/00268979300100651)
The stability of the AB 13 crystal in a binary hard sphere system
Molecular Physics
(2006)
79
105
(doi: 10.1080/00268979300101101)
2-GROUP MODEL FOR RAYLEIGH AND RAMAN CIRCULAR INTENSITY DIFFERENTIAL-FORMULATION FOR GENERAL GEOMETRIES
Molecular Physics
(2006)
33
293
(doi: 10.1080/00268977700103241)
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)
Theory and applications of spin-restricted open-shell Møller-Plesset theory
Molecular Physics
(2006)
79
777
(doi: 10.1080/00268979300101621)
Desolvation tips the balance: solvent effects on aromatic interactions
Chem Commun (Camb)
(2006)
3806
(doi: 10.1039/b608165g)
