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  • Currently displaying 20441 - 20460 of 30919 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
Electric field-gradient-induced birefringence in N2, C2H6, C3H6, Cl2, N2O and CH3F
AD Buckingham, C Graham, JH Williams
Molecular Physics
(2006)
49
A variational method for the calculation of rovibrational levels of any triatomic molecule
S Carter, NC Handy, BT Sutcliffe
Molecular Physics
(2006)
49
Electromagnetic properties of BH (1Σ+) using CASSCF wavefunctions
GT Daborn, NC Handy
Molecular Physics
(2006)
49
A simple model for solutions of liquid alkali and alkali halides
G Chabrier, JP Hansen
Molecular Physics
(2006)
50
INTERMOLECULAR PERTURBATION-THEORY APPLICATIONS TO HEBE, ARHF, ARHCL AND NEH2
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
An intermolecular perturbation theory for the region of moderate overlap
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
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
A Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
The pair polarizability anisotropy of SF6 in the point-atom-polarizability approximation
AD Buckingham, KLC Hunt
Molecular Physics
(2006)
40
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
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
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52
An Experiment in Crystal Structure Prediction by Popular Vote
GM Day, WDS Motherwell
Crystal Growth & Design
(2006)
6