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  • Currently displaying 18901 - 18920 of 29290 publications
Author(s)
Publication title
Journal Name
Publication year
Electromagnetic properties of BH (1Σ+) using CASSCF wavefunctions
GT Daborn, NC Handy
Molecular Physics
(2006)
49
A simple model for solutions of liquid alkali and alkali halides
G Chabrier, JP Hansen
Molecular Physics
(2006)
50
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
An intermolecular perturbation theory for the region of moderate overlap
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
INTERMOLECULAR PERTURBATION-THEORY APPLICATIONS TO HEBE, ARHF, ARHCL AND NEH2
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
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
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
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
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 1-4VI 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
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
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
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