Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 23081 - 23100 of 30089 publications

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)

Surface products of the dissociative adsorption of methane on Pt{}-(1×2)

DTP Watson, S Titmuss, DA King

Surface Science

(2002)

505

49

(doi: 10.1016/S0039-6028(01)01678-8)

Molecular Dynamics in Various Ensembles

D Frenkel, B Smit

(2002)

139

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

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)

Free Energy Calculations

D Frenkel, B Smit

(2002)

167

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

Modular assembly of porphyrin sandwiches as potential hosts

CA Hunter, R Tregonning

Tetrahedron

(2002)

58

691

(doi: 10.1016/S0040-4020(01)01107-3)

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)

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)

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)

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)

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)

Chapter 17 Dissipative Particle Dynamics

D Frenkel, B Smit

(2002)

465

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

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

141

(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

331

(doi: 10.1006/jcat.2002.3509)

Preface

SV Ley

(2002)

27

vii

(doi: 10.1016/S1572-5995(02)80031-X)