Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 22881 - 22900 of 29877 publications

Chapter 7 Free Energy Calculations

D Frenkel, B Smit

(2002)

167

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

Molecular Dynamics in Various Ensembles

D Frenkel, B Smit

(2002)

139

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

Chapter 5 Monte Carlo Simulations in Various Ensembles

D Frenkel, B Smit

(2002)

111

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

Molecular Dynamics Simulations

D Frenkel, B Smit

(2002)

63

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

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)

Introduction

D Frenkel, B Smit

(2002)

1

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

Cation ordering and electrochemical properties of the cathode materials LiZnxMn2-O-x(4), 0 < x <= 0.5: A Li-6 magic-angle spinning NMR spectroscopy and diffraction study

YJ Lee, S-H Park, C Eng, JB Parise, CP Grey

Chemistry of Materials

(2002)

14

{194-205}

(doi: 10.1021/cm010503j)

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)

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)

Ag-catalysed epoxidation of propene and ethene:: an investigation using electrochemical promotion of the effects of alkali, NO_x, and chlorine

A Palermo, A Husain, MS Tikhov, RM Lambert

Journal of Catalysis

(2002)

207

331

(doi: 10.1006/jcat.2002.3509)

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)

Surface products of the dissociative adsorption of methane on Pt{110}-(1 x 2)

DTP Watson, S Titmuss, DA King

Surface Science

(2002)

505

49

(doi: 10.1016/s0039-6028(01)01678-8)

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)

Coverage dependence of the dissociative sticking probability of methane on Pt(1 1 0)-(1 × 2)

DTP Watson, J van Dijk, JJW Harris, DA King

Surface Science

(2002)

506

243

(doi: 10.1016/S0039-6028(02)01315-8)

Modular assembly of porphyrin sandwiches as potential hosts

CA Hunter, R Tregonning

Tetrahedron

(2002)

58

691

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

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

141-155

(doi: 10.1016/S0010-4655(02)00151-0)

Preface

SV Ley

(2002)

27

7

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

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)

New look and new outlook

WA Hendrickson, C-I Brändén, AR Fersht

Structure

(2002)

10

1

(doi: 10.1016/s0969-2126(01)00704-3)