Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 23381 - 23400 of 30389 publications

Chapter 14 Accelerating Monte Carlo Sampling

D Frenkel, B Smit

(2002)

389

(doi: 10.1016/b978-012267351-1/50016-x)

Chapter 15 Tackling Time-Scale Problems

D Frenkel, B Smit

(2002)

409

(doi: 10.1016/b978-012267351-1/50017-1)

Rare Events

D Frenkel, B Smit

(2002)

431

(doi: 10.1016/b978-012267351-1/50018-3)

Diode Laser Spectrum of the ν1 Fundamental Band of PNO

Y Liu, PA Hamilton, PB Davies

Journal of Molecular Spectroscopy

(2002)

211

107

(doi: 10.1006/jmsp.2001.8487)

Chapter 17 Dissipative Particle Dynamics

D Frenkel, B Smit

(2002)

465

(doi: 10.1016/b978-012267351-1/50019-5)

The superstructure of lead tetragonal tungsten bronze

SK Haydon, DA Jefferson

Journal of Solid State Chemistry

(2002)

168

306

(doi: 10.1006/jssc.2002.9630)

Chapter 4 Molecular Dynamics Simulations

D Frenkel, B Smit

(2002)

63

(doi: 10.1016/b978-012267351-1/50006-7)

Molecular Dynamics in Various Ensembles

D Frenkel, B Smit

(2002)

139

(doi: 10.1016/b978-012267351-1/50008-0)

Chapter 7 Free Energy Calculations

D Frenkel, B Smit

(2002)

167

(doi: 10.1016/b978-012267351-1/50009-2)

Chapter 8 The Gibbs Ensemble

D Frenkel, B Smit

(2002)

201

(doi: 10.1016/b978-012267351-1/50010-9)

Monte Carlo Simulations

D Frenkel, B Smit

(2002)

23

(doi: 10.1016/b978-012267351-1/50005-5)

Chapter 2 Statistical Mechanics

D Frenkel, B Smit

(2002)

9

(doi: 10.1016/b978-012267351-1/50004-3)

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

141

(doi: 10.1016/s0167-2991(02)80535-3)

Introduction

D Frenkel, B Smit

(2002)

1

(doi: 10.1016/b978-012267351-1/50003-1)

What can classical simulators learn from ab initio simulations?

L Delle Site, RM Lyndeb-Bell, A Alavi

Journal of Molecular Liquids

(2002)

98

79

(doi: 10.1016/s0167-7322(01)00311-7)

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

959

(doi: 10.1016/s0167-2991(02)80124-0)

Structures of adsorbed water layers on MgO: an ab initio study

RM Lynden-Bell, L Delle Site, A Alavi

Surface Science

(2002)

496

L1

(doi: 10.1016/S0039-6028(01)01669-7)

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

1247

(doi: 10.1016/s1352-2310(01)00584-2)

Isothermal and temperature-programmed oxidation of CH over Pt(1 1 0)-(1 × 2)

DTP Watson, JJW Harris, DA King

Surface Science

(2002)

505

58

(doi: 10.1016/S0039-6028(01)01679-X)

OmpA: a pore or not a pore? Simulation and modeling studies.

PJ Bond, JD Faraldo-Gómez, MSP Sansom

Biophys J

(2002)

83

763

(doi: 10.1016/S0006-3495(02)75207-7)