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  • Currently displaying 20221 - 20240 of 30706 publications
Author(s)
Publication title
Journal Name
Publication year
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
A study of vibrational dephasing of the A 1 modes of CH3CN in a computer simulation of the liquid phase
P-O Westlund, RM Lynden-Bell
Molecular Physics
(2006)
60
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 nv 1 (n = 1–4) bands of N2O3
LA Chewter, IWM Smith, G Yarwood
Molecular Physics
(2006)
63
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
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
FORMULAS FOR THE 1ST AND 2ND DERIVATIVES OF ANISOTROPIC POTENTIALS WITH RESPECT TO GEOMETRICAL PARAMETERS
PLA Popelier, AJ Stone
Molecular Physics
(2006)
82
Diode laser spectroscopy of the 7i-6h and 7h-6g transitions in H2
FJ Basterrechea, PB Davies, DM Smith, RJ Stickland
Molecular Physics
(2006)
81
Theoretical study of the Renner-Teller Ã2A1-[Xtilde]2B1system of NH2
W Gabriel, G Chambaud, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
81
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
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis
SL Price, AJ Stone
Molecular Physics
(2006)
51
Theory and applications of spin-restricted open-shell Møller-Plesset theory
DJ Tozer, NC Handy, RD Amos, JA Pople, RH Nobes, Y Xie, HF Schaefer
Molecular Physics
(2006)
79
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51
The stability of the AB 13 crystal in a binary hard sphere system
MD Eldridge, PA Madden, D Frenkel
Molecular Physics
(2006)
79
A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
52
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Motional narrowing in the v1/2v2 fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
Molecular Physics
(2006)
45