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  • Currently displaying 23221 - 23240 of 30210 publications
Author(s)
Publication title
Journal Name
Publication year
Free Energy Calculations
D Frenkel, B Smit
(2002)
The Gibbs Ensemble
D Frenkel, B Smit
(2002)
Surface products of the dissociative adsorption of methane on Pt(1 0 0)-(1 × 2)
DTP Watson, S Titmuss, DA King
Surface Science
(2002)
505
Chapter 9 Other Methods to Study Coexistence
D Frenkel, B Smit
(2002)
Free Energies of Solids
D Frenkel, B Smit
(2002)
Structures of adsorbed water layers on MgO: An ab initio study
RM Lynden-Bell, L Delle Site, A Alavi
Surface Science
(2002)
496
Free Energy of Chain Molecules
D Frenkel, B Smit
(2002)
Long-Range Interactions
D Frenkel, B Smit
(2002)
Chapter 13 Biased Monte Carlo Schemes
D Frenkel, B Smit
(2002)
Chapter 14 Accelerating Monte Carlo Sampling
D Frenkel, B Smit
(2002)
Chapter 15 Tackling Time-Scale Problems
D Frenkel, B Smit
(2002)
Rare Events
D Frenkel, B Smit
(2002)
Chapter 17 Dissipative Particle Dynamics
D Frenkel, B Smit
(2002)
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
What can classical simulators learn from ab initio simulations?
L Delle Site, RM Lyndeb-Bell, A Alavi
Journal of Molecular Liquids
(2002)
98-9
New Directions: Mobile laboratory reveals new issues in urban air quality
PW Seakins, DL Lansley, A Hodgson, N Huntley, F Pope
Atmospheric Environment
(2002)
36
Preparation of recombinant tissue inhibitor of metalloproteinases-1 (TIMP-1) in high yield and identification of a hydrophobic surface feature.
DJ Hodges, DG Reid, AD Rowan, IM Clark, TE Cawston
Eur J Biochem
(2001)
257
Biophysical studies of the development of amyloid fibrils from a peptide fragment of cold shock protein B.
DK Wilkins, CM Dobson, M Gross
European Journal of Biochemistry
(2001)
267
Zirconocene-Mediated, High-Yielding Macrocyclizations of Silyl-Terminated Diynes
LL Schafer, JR Nitschke, SSH Mao, F-Q Liu, G Harder, M Haufe, TD Tilley
Chemistry (Weinheim an der Bergstrasse, Germany)
(2001)
8
Boron-mediated aldol reactions of ethyl alpha-(N,N)-dibenzylamino ketones: control of enolisation geometry and aldehyde pi-facial selectivity
I Paterson, AC Mackay
Tetrahedron Letters
(2001)
42