Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 19761 - 19780 of 30210 publications
Author(s)
Publication title
Journal Name
Publication year
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
A new approach to bonding in transition metal clusters
AJ Stone
Molecular Physics
(2006)
41
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
SL Price, AJ Stone
Molecular Physics
(2006)
40
The pair polarizability anisotropy of SF6 in the point-atom-polarizability approximation
AD Buckingham, KLC Hunt
Molecular Physics
(2006)
40
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52
Dipole polarizability formulae
D Bishop, LM Cheung, AD Buckingham
Molecular Physics
(2006)
41
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
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
A rescaled MSA structure factor for dilute charged colloidal dispersions
J-P Hansen, JB Hayter
Molecular Physics
(2006)
46
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
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
The stability of the AB13 crystal in a binary hard sphere system
MD Eldridge, PA Madden, D Frenkel
Molecular Physics
(2006)
79
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
An experiment in crystal structure prediction by popular vote
GM Day, WDS Motherwell
Crystal Growth & Design
(2006)
6
Desolvation tips the balance: solvent effects on aromatic interactions.
SL Cockroft, CA Hunter
Chemical communications (Cambridge, England)
(2006)
Ray scattering study of the effect of hydration on the cross-beta structure of amyloid fibrils
AM Squires, GL Devlin, SL Gras, AK Tickler, CE MacPhee, CM Dobson
J Am Chem Soc
(2006)
128