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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 18901 - 18920 of 29453 publications
The vibrational levels of C2H2using an internal coordinate vibrational hamiltonian
S CARTER, NC HANDY
– Molecular Physics
(2006)
53,
1033
Simulation of the adhesive-hard-sphere model
WGT KRANENDONK, D FRENKEL
– Molecular Physics
(2006)
64,
403
Coexistence in small inert gas clusters
DJ WALES
– Molecular Physics
(2006)
78,
151-171
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
– Molecular Physics
(2006)
48,
1093
Thermodynamic properties of binary hard sphere mixtures
WGT KRANENDONK, D FRENKEL
– Molecular Physics
(2006)
72,
715
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
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
X-ray scattering study of the effect of hydration on the cross-β structure of amyloid fibrils
AM Squires, GL Devlin, SL Gras, AK Tickler, CE MacPhee, CM Dobson
– J Am Chem Soc
(2006)
128,
11738
A Monte Carlo study of semi-dilute hard sphere mixtures
PH FRIES, JP HANSEN
– Molecular Physics
(2006)
48,
891
Quadrature schemes for integrals of density functional theory
CW MURRAY, NC HANDY, GJ LAMING
– Molecular Physics
(2006)
78,
997
The stability of the AB 13 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
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
– Molecular Physics
(2006)
51,
761
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
– Molecular Physics
(2006)
87,
1
Desolvation tips the balance: Solvent effects on aromatic interactions
SL Cockroft, CA Hunter
– Chem Commun (Camb)
(2006)
3806
Dipole polarizability formulae
D BISHOP, LM CHEUNG, AD BUCKINGHAM
– Molecular Physics
(2006)
41,
1225
A variational method for the calculation of vibrational levels of any triatomic molecule
S CARTER, NC HANDY
– Molecular Physics
(2006)
47,
1445
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
SL PRICE, AJ STONE
– Molecular Physics
(2006)
40,
805