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  • Currently displaying 20441 - 20460 of 30945 publications
Author(s)
Publication title
Journal Name
Publication year
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
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
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
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80
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
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
Molecular light scattering—A spherical tensor approach
RJA Tough, AJ Stone
Molecular Physics
(2006)
37
Theoretical studies of the collision-induced Raman spectrum of carbon dioxide
RD Amos, AD Buckingham, JH Williams
Molecular Physics
(2006)
39
FORMULAS FOR THE 1ST AND 2ND DERIVATIVES OF ANISOTROPIC POTENTIALS WITH RESPECT TO GEOMETRICAL PARAMETERS
PLA Popelier, AJ Stone
Molecular Physics
(2006)
82
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
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
A high resolution FTIR spectroscopic study of the nv 1 (n = 1–4) bands of N2O3
LA Chewter, IWM Smith, G Yarwood
Molecular Physics
(2006)
63
On the equilibrium structure of dense fluids
JL Barrat, JP Hansen, G Pastore
Molecular Physics
(2006)
63
The relaxation matrices for AX2 and AX3 nuclear spin systems
AD Bain, RM Lynden-Bell
Molecular Physics
(2006)
30
Determination of derivatives of the polarizability anisotropy in diatomic molecules
H-O Hamaguchi, I Suzuki, AD Buckingham
Molecular Physics
(2006)
43
The quadrupole moments of carbon dioxide and carbon disulphide
MR Battaglia, AD Buckingham, D Neumark, RK Pierens, JH Williams
Molecular Physics
(2006)
43