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  • Currently displaying 19381 - 19400 of 29869 publications
Author(s)
Publication title
Journal Name
Publication year
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Validity of the high temperature approximation and influence of polydispersity on the phase separation in charged colloidal dispersions
JP Hansen, L Reatto, M Tau, JM Victor
Molecular Physics
(2006)
56
REORIENTATION OF N-2 ADSORBED ON GRAPHITE IN VARIOUS COMPUTER-SIMULATED PHASES
RM Lynden-Bell, J Talbot, DJ Tildesley, WA Steele
Molecular Physics
(2006)
54
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
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
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
The relaxation matrices for AX2 and AX3 nuclear spin systems
AD Bain, RM Lynden-Bell
Molecular Physics
(2006)
30
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
A simple model for solutions of liquid alkali and alkali halides
G Chabrier, JP Hansen
Molecular Physics
(2006)
50
Electromagnetic properties of BH (1Σ+) using CASSCF wavefunctions
GT Daborn, NC Handy
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
ELECTRIC FIELD-GRADIENT-INDUCED BIREFRINGENCE IN N-2, C2H6, C3H6, CL-2, N2O AND CH3F
AD Buckingham, C Graham, JH Williams
Molecular Physics
(2006)
49
A POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF CH2
P Knowles, NC Handy, S Carter
Molecular Physics
(2006)
49
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
D Frenkel, JF Maguire
Molecular Physics
(2006)
49
Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules
RM Lynden-Bell, IR McDonald
Molecular Physics
(2006)
43
Determination of derivatives of the polarizability anisotropy in diatomic molecules
H-O Hamaguchi, AD Buckingham, WJ Jones
Molecular Physics
(2006)
43