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  • Currently displaying 19281 - 19300 of 29670 publications
Author(s)
Publication title
Journal Name
Publication year
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67
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
A study of vibrational dephasing of the a1 modes of CH3CN in a computer simulation of the liquid phase
P-O Westlund, RM Lynden-Bell
Molecular Physics
(2006)
60
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
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
REORIENTATION OF N-2 ADSORBED ON GRAPHITE IN VARIOUS COMPUTER-SIMULATED PHASES
RM Lynden-Bell, J Talbot, DJ Tildesley, WA Steele
Molecular Physics
(2006)
54
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
Intermolecular perturbation theory
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
The relaxation matrices for AX2 and AX3 nuclear spin systems
AD Bain, RM Lynden-Bell
Molecular Physics
(2006)
30
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
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry
SL Price, AJ Stone, M Alderton
Molecular Physics
(2006)
52
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51
Simulation of the adhesive-hard-sphere model
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
64
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