Yusuf Hamied Department of Chemistry

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  • Currently displaying 23221 - 23240 of 30215 publications
Author(s)
Publication title
Journal Name
Publication year
Structures of adsorbed water layers on MgO: An ab initio study
RM Lynden-Bell, L Delle Site, A Alavi
Surface Science
(2002)
496
(doi: 10.1016/S0039-6028(01)01669-7)
H2−D2 exchange and migration of Ga in H-ZSM5 and H-MOR zeolites
M Garcia-Sanchez, P Magusin, EJM Hensen, RA van Santen
(2002)
142
(doi: 10.1016/s0167-2991(02)80124-0)
Synthesis and characterisation of super-microporous aluminosilicates prepared via primary amine templating
E Bastardo-Gonzalez, R Mokaya, W Jones
Studies in Surface Science and Catalysis
(2002)
141
(doi: 10.1016/s0167-2991(02)80535-3)
Monte Carlo Simulations in Various Ensembles
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50007-9)
Chapter 6 Molecular Dynamics in Various Ensembles
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50008-0)
Chapter 7 Free Energy Calculations
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50009-2)
The Gibbs Ensemble
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50010-9)
Other Methods to Study Coexistence
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50011-0)
Free Energies of Solids
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50012-2)
What can classical simulators learn from ab initio simulations?
L Delle Site, RM Lyndeb-Bell, A Alavi
Journal of Molecular Liquids
(2002)
98-9
(doi: 10.1016/s0167-7322(01)00311-7)
Chapter 11 Free Energy of Chain Molecules
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50013-4)
Energetics of enzyme stability
M Vendruscolo
Trends in Biotechnology
(2002)
20
(doi: 10.1016/S0167-7799(01)01871-6)
Long-Range Interactions
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50014-6)
Diatomics-in-molecules potentials incorporating ab initio data:: Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters
FY Naumkin, DJ Wales
Compu. Phys. Comm.
(2002)
145
(doi: 10.1016/S0010-4655(02)00151-0)
Ag-Catalysed Epoxidation of Propene and Ethene: An Investigation Using Electrochemical Promotion of the Effects of Alkali, NOX, and Chlorine
A Palermo, A Husain, MS Tikhov, RM Lambert
Journal of Catalysis
(2002)
207
(doi: 10.1006/jcat.2002.3509)
Biased Monte Carlo Schemes
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50015-8)
Chapter 14 Accelerating Monte Carlo Sampling
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50016-x)
Chapter 15 Tackling Time-Scale Problems
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50017-1)
Rare Events
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50018-3)
Chapter 17 Dissipative Particle Dynamics
D Frenkel, B Smit
(2002)
(doi: 10.1016/b978-012267351-1/50019-5)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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