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  • Currently displaying 20601 - 20620 of 31086 publications
Author(s)
Publication title
Journal Name
Publication year
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
Coupling of vibrational and reorientational dephasing in mobile liquids
RM Lynden-Bell
Molecular Physics
(2006)
36
THEORETICAL-STUDY OF THE RENNER-TELLER (A)OVER-TILDE2A1-(X)OVER-TILDE2B1 SYSTEM OF NH2
W Gabriel, G Chambaud, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
81
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
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
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 new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
D Frenkel, JF Maguire
Molecular Physics
(2006)
49
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
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
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
The relaxation matrices for AX2 and AX3 nuclear spin systems
AD Bain, RM Lynden-Bell
Molecular Physics
(2006)
30
Reorientation of N2 adsorbed on graphite in various computer simulated phases
RM Lynden-Bell, J Talbot, DJ Tildesley, WA Steele
Molecular Physics
(2006)
54
A variational method for the calculation of vibrational levels of any triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
47
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77