Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 23301 - 23320 of 30304 publications

Chapter 1 Introduction

D Frenkel, B Smit

(2002)

1

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

Chapter 2 Statistical Mechanics

D Frenkel, B Smit

(2002)

9

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

Chapter 3 Monte Carlo Simulations

D Frenkel, B Smit

(2002)

23

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

Molecular Dynamics Simulations

D Frenkel, B Smit

(2002)

63

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

Chapter 5 Monte Carlo Simulations in Various Ensembles

D Frenkel, B Smit

(2002)

111

(doi: 10.1016/b978-012267351-1/50007-9)

Chapter 6 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)

The Gibbs Ensemble

D Frenkel, B Smit

(2002)

201

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

Other Methods to Study Coexistence

D Frenkel, B Smit

(2002)

225

(doi: 10.1016/b978-012267351-1/50011-0)

Chapter 10 Free Energies of Solids

D Frenkel, B Smit

(2002)

241

(doi: 10.1016/b978-012267351-1/50012-2)

Chapter 11 Free Energy of Chain Molecules

D Frenkel, B Smit

(2002)

269

(doi: 10.1016/b978-012267351-1/50013-4)

Long-Range Interactions

D Frenkel, B Smit

(2002)

291

(doi: 10.1016/b978-012267351-1/50014-6)

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)

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)

Preface

SV Ley

(2002)

27

7

(doi: 10.1016/s1572-5995(02)80031-x)

Chapter 13 Biased Monte Carlo Schemes

D Frenkel, B Smit

(2002)

321

(doi: 10.1016/b978-012267351-1/50015-8)

Chapter 14 Accelerating Monte Carlo Sampling

D Frenkel, B Smit

(2002)

389

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

Tackling Time-Scale Problems

D Frenkel, B Smit

(2002)

409

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

Chapter 16 Rare Events

D Frenkel, B Smit

(2002)

431

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

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)