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  • Currently displaying 19281 - 19300 of 29676 publications
Author(s)
Publication title
Journal Name
Publication year
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
FAR INFRA-RED LASER MAGNETIC-RESONANCE (LMR) SPECTRA OF SH AND SD, (X-2-II-3-2)
PB Davies, BJ Handy, EKM Lloyd, DK Russell
Molecular Physics
(2006)
36
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
An intermolecular perturbation theory for the region of moderate overlap
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
Intermolecular perturbation theory
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
Coupling of vibrational and reorientational dephasing in mobile liquids
RM Lynden-Bell
Molecular Physics
(2006)
36
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
Reorientation of N2 adsorbed on graphite in various computer simulated phases
RM Lynden-Bell, J Talbot, DJ Tildesley, WA Steele
Molecular Physics
(2006)
54
The emission bands of HO2 between 1·43 and 1·51 µm
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
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
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
The near infra-red emission band of DO2: determination of the molecular geometry
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
A study of vibrational dephasing of theA1modes of CH3CN in a computer simulation of the liquid phase
P-O Westlund, RM Lynden-Bell
Molecular Physics
(2006)
60
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
On the equilibrium structure of dense fluids
JL Barrat, JP Hansen, G Pastore
Molecular Physics
(2006)
63
A HIGH-RESOLUTION FTIR SPECTROSCOPIC STUDY OF THE 1-4VI BANDS OF N2O3
LA Chewter, IWM Smith, G Yarwood
Molecular Physics
(2006)
63
Theoretical studies of the collision-induced Raman spectrum of carbon dioxide
RD Amos, AD Buckingham, JH Williams
Molecular Physics
(2006)
39
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67