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  • Currently displaying 19401 - 19420 of 29867 publications
Author(s)
Publication title
Journal Name
Publication year
A POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF CH2
P Knowles, NC Handy, S Carter
Molecular Physics
(2006)
49
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51
THE PAIR POLARIZABILITY ANISOTROPY OF SF6 IN THE POINT-ATOM-POLARIZABILITY APPROXIMATION
AD Buckingham, KLC Hunt
Molecular Physics
(2006)
40
Evaluation of anisotropic model intermolecular pair potentials using anab initioSCF-CI surface
SL Price, AJ Stone
Molecular Physics
(2006)
40
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
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
Simulation of the adhesive-hard-sphere model
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
64
Two-group model for the Rayleigh and Raman circular intensity differential—formulation for general geometries
AJ Stone
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules. Part V. The v1, v3 and v5 bands of ethylene
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules. Part IV. Vibration-rotation selection rules and general band contours
GW Hills, RB Foster, WJ Jones
Molecular Physics
(2006)
33
A new approach to bonding in transition metal clusters
AJ Stone
Molecular Physics
(2006)
41
Dipole polarizability formulae
D Bishop, LM Cheung, AD Buckingham
Molecular Physics
(2006)
41
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
Motional narrowing in the v 1/2v 2 Fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
Molecular Physics
(2006)
45
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−Cl2pair potential as shown by the crystal structure Evidence for intermolecular bonding or lone pair effects?
SL Price, AJ Stone
Molecular Physics
(2006)
47
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46