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  • Currently displaying 19921 - 19940 of 30391 publications
Author(s)
Publication title
Journal Name
Publication year
Determination of derivatives of the polarizability anisotropy in diatomic molecules
H-O Hamaguchi, AD Buckingham, WJ Jones
Molecular Physics
(2006)
43
A POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF CH2
P Knowles, NC Handy, S Carter
Molecular Physics
(2006)
49
The quadrupole moments of carbon dioxide and carbon disulphide
MR Battaglia, AD Buckingham, D Neumark, RK Pierens, JH Williams
Molecular Physics
(2006)
43
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52
The vibrational levels of C2H2 using an internal coordinate vibrational hamiltonian
S Carter, NC Handy
Molecular Physics
(2006)
53
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
Theory and applications of spin-restricted open-shell Møller-Plesset theory
DJ Tozer, NC Handy, RD Amos, JA Pople, RH Nobes, Y Xie, HF Schaefer
Molecular Physics
(2006)
79
A variational method for the calculation of vibrational levels of any triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
47
Simulation of the adhesive-hard-sphere model
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
64
A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis
SL Price, AJ Stone
Molecular Physics
(2006)
51
Motional narrowing in the v 1/2v 2 Fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
Molecular Physics
(2006)
45
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51
Dipole polarizability formulae
D Bishop, LM Cheung, AD Buckingham
Molecular Physics
(2006)
41
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
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
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
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72