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  • Currently displaying 19421 - 19440 of 29869 publications
Author(s)
Publication title
Journal Name
Publication year
THE PAIR POLARIZABILITY ANISOTROPY OF SF6 IN THE POINT-ATOM-POLARIZABILITY APPROXIMATION
AD Buckingham, KLC Hunt
Molecular Physics
(2006)
40
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
Raman spectra of asymmetric top molecules
GW Hills, RB Foster, WJ Jones
Molecular Physics
(2006)
33
A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
52
Monte carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52
Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry
SL Price, AJ Stone, M Alderton
Molecular Physics
(2006)
52
Coexistence in small inert gas clusters
DJ Wales
Molecular Physics
(2006)
78
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
Rovibronic 2B1(Πu)-2A1 spectrum of the BH2 radical
M Brommer, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
77
Motional narrowing in the v 1/2v 2 Fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
Molecular Physics
(2006)
45
A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis
SL Price, AJ Stone
Molecular Physics
(2006)
51
Raman spectra of asymmetric top molecules
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
2-GROUP MODEL FOR RAYLEIGH AND RAMAN CIRCULAR INTENSITY DIFFERENTIAL-FORMULATION FOR GENERAL GEOMETRIES
AJ Stone
Molecular Physics
(2006)
33
A variational method for the calculation of vibrational levels of any triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
47
THE ANISOTROPY OF THE CL2-CL2 PAIR POTENTIAL AS SHOWN BY THE CRYSTAL-STRUCTURE - EVIDENCE FOR INTERMOLECULAR BONDING OR LONE PAIR EFFECTS
SL Price, AJ Stone
Molecular Physics
(2006)
47
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
SL Price, AJ Stone
Molecular Physics
(2006)
40
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46