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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 18861 - 18880 of 29400 publications
An Experiment in Crystal Structure Prediction by Popular Vote
GM Day, WDS Motherwell
– Crystal Growth & Design
(2006)
6,
1985
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
– Molecular Physics
(2006)
87,
1
Evaluation of anisotropic model intermolecular pair potentials using anab initioSCF-CI surface
SL PRICE, AJ STONE
– Molecular Physics
(2006)
40,
805
Coexistence in small inert gas clusters
DJ WALES
– Molecular Physics
(2006)
78,
151-171
Dipole polarizability formulae
D BISHOP, LM CHEUNG, AD BUCKINGHAM
– Molecular Physics
(2006)
41,
1225
Simulation of the adhesive-hard-sphere model
WGT KRANENDONK, D FRENKEL
– Molecular Physics
(2006)
64,
403
THE STABILITY OF THE AB13 CRYSTAL IN A BINARY HARD-SPHERE SYSTEM
MD ELDRIDGE, PA MADDEN, D FRENKEL
– Molecular Physics
(2006)
79,
105
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,
987
X-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
– Journal of the American Chemical Society
(2006)
128,
11738
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
– Molecular Physics
(2006)
48,
1093
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
– Molecular Physics
(2006)
51,
761
A variational method for the calculation of vibrational levels of any triatomic molecule
S CARTER, NC HANDY
– Molecular Physics
(2006)
47,
1445
Desolvation tips the balance: solvent effects on aromatic interactions.
SL Cockroft, CA Hunter
– Chemical Communications
(2006)
3806
Quadrature schemes for integrals of density functional theory
CW MURRAY, NC HANDY, GJ LAMING
– Molecular Physics
(2006)
78,
997
A rescaled MSA structure factor for dilute charged colloidal dispersions
JP HANSEN, JB HAYTER
– Molecular Physics
(2006)
46,
651
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT KRANENDONK, D FRENKEL
– Molecular Physics
(2006)
72,
679
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,
1367
Motional narrowing in the v1/2v2 fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
– Molecular Physics
(2006)
45,
1291
THE VIBRATIONAL LEVELS OF C2H2 USING AN INTERNAL COORDINATE VIBRATIONAL HAMILTONIAN
S CARTER, NC HANDY
– Molecular Physics
(2006)
53,
1033
Thermodynamic properties of binary hard sphere mixtures
WGT KRANENDONK, D FRENKEL
– Molecular Physics
(2006)
72,
715