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  • Currently displaying 19281 - 19300 of 29680 publications
Author(s)
Publication title
Journal Name
Publication year
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
Reorientation of N2adsorbed 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
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
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
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
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
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67
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
Formulae for the first and second derivatives of anisotropie 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 (A)OVER-TILDE2A1-(X)OVER-TILDE2B1 SYSTEM 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
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72