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  • Currently displaying 20341 - 20360 of 30846 publications
Author(s)
Publication title
Journal Name
Publication year
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
The relaxation matrices for AX2 and AX3 nuclear spin systems
AD Bain, RM Lynden-Bell
Molecular Physics
(2006)
30
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
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
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80
The quadrupole moments of carbon dioxide and carbon disulphide
MR Battaglia, AD Buckingham, D Neumark, RK Pierens, JH Williams
Molecular Physics
(2006)
43
Determination of derivatives of the polarizability anisotropy in diatomic molecules
H-O Hamaguchi, I Suzuki, AD Buckingham
Molecular Physics
(2006)
43
Ligand Field Effects on the Aqueous Ru(III)/Ru(II) Redox Couple from an All-Atom Density Functional Theory Perspective.
R Ayala, M Sprik
Journal of chemical theory and computation
(2006)
2
On the equilibrium structure of dense fluids
JL Barrat, JP Hansen, G Pastore
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
Molecular light scattering—A spherical tensor approach
RJA Tough, AJ Stone
Molecular Physics
(2006)
37
The near infra-red emission band of DO2: determination of the molecular geometry
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
The emission bands of HO2 between 1·43 and 1·51 µm
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
A simple model for solutions of liquid alkali and alkali halides
G Chabrier, JP Hansen
Molecular Physics
(2006)
50
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
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