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- Currently displaying 19301 - 19320 of 29882 publications
A variational method for the calculation of rovibrational levels of any triatomic molecule
Molecular Physics
(2006)
49
745
(doi: 10.1080/00268978300101521)
Ligand Field Effects on the Aqueous Ru(III)/Ru(II) Redox Couple from an All-Atom Density Functional Theory Perspective.
Journal of chemical theory and computation
(2006)
2
1403
(doi: 10.1021/ct600169e)
Validity of the high temperature approximation and influence of polydispersity on the phase separation in charged colloidal dispersions
Molecular Physics
(2006)
56
385
(doi: 10.1080/00268978500102391)
The quadrupole moments of carbon dioxide and carbon disulphide
Molecular Physics
(2006)
43
1015
(doi: 10.1080/00268978100101831)
Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules
Molecular Physics
(2006)
43
1429
(doi: 10.1080/00268978100102181)
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
Molecular Physics
(2006)
72
679
(doi: 10.1080/00268979100100501)
THE STABILITY OF THE AB13 CRYSTAL IN A BINARY HARD-SPHERE SYSTEM
Molecular Physics
(2006)
79
105
(doi: 10.1080/00268979300101101)
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
Molecular Physics
(2006)
48
1093
(doi: 10.1080/00268978300100781)
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)
Simulation of the adhesive-hard-sphere model
Molecular Physics
(2006)
64
403
(doi: 10.1080/00268978800100303)
The vibrational levels of C2H2 using an internal coordinate vibrational hamiltonian
Molecular Physics
(2006)
53
1033
(doi: 10.1080/00268978400102831)
Quadrature schemes for integrals of density functional theory
Molecular Physics
(2006)
78
997
(doi: 10.1080/00268979300100651)
Ray scattering study of the effect of hydration on the cross-beta structure of amyloid fibrils
Journal of the American Chemical Society
(2006)
128
11738
(doi: 10.1021/ja063751v)
Molecular motion in a model of liquid acetonitrile
Molecular Physics
(2006)
51
761
(doi: 10.1080/00268978400100501)
A rescaled MSA structure factor for dilute charged colloidal dispersions
Molecular Physics
(2006)
46
651
(doi: 10.1080/00268978200101471)
Thermodynamic properties of binary hard sphere mixtures
Molecular Physics
(2006)
72
715
(doi: 10.1080/00268979100100521)
Desolvation tips the balance: solvent effects on aromatic interactions
Chemical Communications
(2006)
3806
(doi: 10.1039/b608165g)
