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- Currently displaying 20461 - 20480 of 30919 publications
Desolvation tips the balance: Solvent effects on aromatic interactions
Chemical communications (Cambridge, England)
(2006)
3806
(doi: 10.1039/b608165g)
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)
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
Molecular Physics
(2006)
65
143
(doi: 10.1080/00268978800100911)
Theory and applications of spin-restricted open-shell Møller-Plesset theory
Molecular Physics
(2006)
79
777
(doi: 10.1080/00268979300101621)
The stability of the AB 13 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)
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
Molecular Physics
(2006)
48
1093
(doi: 10.1080/00268978300100781)
Coexistence in small inert gas clusters
Molecular Physics
(2006)
78
151
(doi: 10.1080/00268979300100141)
Rovibronic 2B1(Πu)-2A1 spectrum of the BH2 radical
Molecular Physics
(2006)
77
549
(doi: 10.1080/00268979200102611)
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
Molecular Physics
(2006)
51
569
(doi: 10.1080/00268978400100401)
Towards an accurate intermolecular potential for water
Molecular Physics
(2006)
77
439
(doi: 10.1080/00268979200102541)
Ray scattering study of the effect of hydration on the cross-β structure of amyloid fibrils
J Am Chem Soc
(2006)
128
11738
(doi: 10.1021/ja063751v)
Thermodynamic properties of binary hard sphere mixtures
Molecular Physics
(2006)
72
715
(doi: 10.1080/00268979100100521)
Motional narrowing in thev1/2v2Fermi 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)
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)
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)
