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  • Currently displaying 19261 - 19280 of 29620 publications
Author(s)
Publication title
Journal Name
Publication year
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
SL Price, AJ Stone
Molecular Physics
(2006)
40
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
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
A rescaled MSA structure factor for dilute charged colloidal dispersions
J-P Hansen, JB Hayter
Molecular Physics
(2006)
46
A Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
SL Price, AJ Stone
Molecular Physics
(2006)
51
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51
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
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
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
THE VIBRATIONAL LEVELS OF C2H2 USING AN INTERNAL COORDINATE VIBRATIONAL HAMILTONIAN
S Carter, NC Handy
Molecular Physics
(2006)
53
Simulation of the adhesive-hard-sphere model
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
64
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
Computer simulation of solid-liquid coexistence in 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