Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 19241 - 19260 of 29614 publications
Author(s)
Publication title
Journal Name
Publication year
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
(doi: 10.1080/00268979600100011)
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
(doi: 10.1080/00268979600100081)
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
Molecular Physics
(2006)
51
(doi: 10.1080/00268978400100501)
A variational method for the calculation of vibrational levels of any triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
47
(doi: 10.1080/00268978200101082)
THE ANISOTROPY OF THE CL2-CL2 PAIR POTENTIAL AS SHOWN BY THE CRYSTAL-STRUCTURE - EVIDENCE FOR INTERMOLECULAR BONDING OR LONE PAIR EFFECTS
SL Price, AJ Stone
Molecular Physics
(2006)
47
(doi: 10.1080/00268978200101092)
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
(doi: 10.1080/00268979100100501)
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
(doi: 10.1080/00268979100100511)
A new approach to bonding in transition metal clusters
AJ Stone
Molecular Physics
(2006)
41
(doi: 10.1080/00268978000103581)
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
(doi: 10.1080/00268979100100521)
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
(doi: 10.1080/00268979200102541)
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
(doi: 10.1080/00268978400101721)
Dipole polarizability formulae
D Bishop, LM Cheung, AD Buckingham
Molecular Physics
(2006)
41
(doi: 10.1080/00268978000103911)
ROVIBRONIC (2)B(1)(PI(U))-(2)A(1) SPECTRUM OF THE BH2 RADICAL
M Brommer, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
77
(doi: 10.1080/00268979200102611)
Coexistence in small inert gas clusters
DJ Wales
Molecular Physics
(2006)
78
(doi: 10.1080/00268979300100141)
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
(doi: 10.1080/00268979300100651)
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
(doi: 10.1080/00268979300101621)
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46
(doi: 10.1080/00268978200101171)
A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis
SL Price, AJ Stone
Molecular Physics
(2006)
51
(doi: 10.1080/00268978400100401)
A rescaled MSA structure factor for dilute charged colloidal dispersions
J-P Hansen, JB Hayter
Molecular Physics
(2006)
46
(doi: 10.1080/00268978200101471)
A Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
(doi: 10.1080/00268978300100641)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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