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  • Currently displaying 19341 - 19360 of 29941 publications
Author(s)
Publication title
Journal Name
Publication year
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
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
Coupling of vibrational and reorientational dephasing in mobile liquids
RM Lynden-Bell
Molecular Physics
(2006)
36
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
Theoretical study of the Renner-Teller à 2A1-[Xtilde] 2B1 system of NH2
W Gabriel, G Chambaud, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
81
A potential energy surface for the ground state of CH2
P Knowles, NC Handy, S Carter
Molecular Physics
(2006)
49
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
D Frenkel, JF Maguire
Molecular Physics
(2006)
49
DETERMINATION OF DERIVATIVES OF THE POLARIZABILITY ANISOTROPY IN DIATOMIC-MOLECULES .1. THEORETICAL CONSIDERATIONS ON VIBRATION-ROTATION RAMAN INTENSITIES
H-O Hamaguchi, I Suzuki, AD Buckingham
Molecular Physics
(2006)
43
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
The quadrupole moments of carbon dioxide and carbon disulphide
MR Battaglia, AD Buckingham, D Neumark, RK Pierens, JH Williams
Molecular Physics
(2006)
43
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
Ligand Field Effects on the Aqueous Ru(III)/Ru(II) Redox Couple from an All-Atom Density Functional Theory Perspective.
R Ayala, M Sprik
J Chem Theory Comput
(2006)
2
INTERMOLECULAR PERTURBATION-THEORY APPLICATIONS TO HEBE, ARHF, ARHCL AND NEH2
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
Reorientation of N2adsorbed on graphite in various computer simulated phases
RM Lynden-Bell, J Talbot, DJ Tildesley, WA Steele
Molecular Physics
(2006)
54
Theoretical studies of the collision-induced Raman spectrum of carbon dioxide
RD Amos, AD Buckingham, JH Williams
Molecular Physics
(2006)
39
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
DIODE-LASER SPECTROSCOPY OF THE 7I-6H AND 7H-6G TRANSITIONS IN H-2
FJ Basterrechea, PB Davies, DM Smith, RJ Stickland
Molecular Physics
(2006)
81