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  • Currently displaying 19321 - 19340 of 29903 publications
Author(s)
Publication title
Journal Name
Publication year
Validity of the high temperature approximation and influence of polydispersity on the phase separation in charged colloidal dispersions
JP Hansen, L Reatto, M Tau, JM Victor
Molecular Physics
(2006)
56
FAR INFRA-RED LASER MAGNETIC-RESONANCE (LMR) SPECTRA OF SH AND SD, (X-2-II-3-2)
PB Davies, BJ Handy, EKM Lloyd, DK Russell
Molecular Physics
(2006)
36
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
Ligand Field Effects on the Aqueous Ru(III)/Ru(II) Redox Couple from an All-Atom Density Functional Theory Perspective
R Ayala, M Sprik
Journal of Chemical Theory and Computation
(2006)
2
The quadrupole moments of carbon dioxide and carbon disulphide
MR Battaglia, AD Buckingham, D Neumark, RK Pierens, JH Williams
Molecular Physics
(2006)
43
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Theoretical studies of the collision-induced Raman spectrum of carbon dioxide
RD Amos, AD Buckingham, JH Williams
Molecular Physics
(2006)
39
Scaling properties of inhomogeneity kinetic energy in some diatomic molecules, in relation to dissociation energies
GJ Laming, A Nagy, NH March
Molecular Physics
(2006)
81
Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules
RM Lynden-Bell, IR McDonald
Molecular Physics
(2006)
43
INTERMOLECULAR PERTURBATION-THEORY APPLICATIONS TO HEBE, ARHF, ARHCL AND NEH2
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
A variational method for the calculation of rovibrational levels of any triatomic molecule
S Carter, NC Handy, BT Sutcliffe
Molecular Physics
(2006)
49
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
A rescaled MSA structure factor for dilute charged colloidal dispersions
J-P Hansen, JB Hayter
Molecular Physics
(2006)
46
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
Coexistence in small inert gas clusters
DJ Wales
Mol. Phys.
(2006)
78
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51