Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 23141 - 23160 of 30152 publications

Chapter 10 Free Energies of Solids

D Frenkel, B Smit

(2002)

241

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

Other Methods to Study Coexistence

D Frenkel, B Smit

(2002)

225

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

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)

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)

The Gibbs Ensemble

D Frenkel, B Smit

(2002)

201

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

Free Energy Calculations

D Frenkel, B Smit

(2002)

167

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

Chapter 6 Molecular Dynamics in Various Ensembles

D Frenkel, B Smit

(2002)

139

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

Monte Carlo Simulations in Various Ensembles

D Frenkel, B Smit

(2002)

111

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

Chapter 4 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)

Modular assembly of porphyrin sandwiches as potential hosts

CA Hunter, R Tregonning

Tetrahedron

(2002)

58

691

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

Chapter 1 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)

98-99

79

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

Energetics of enzyme stability.

M Vendruscolo

Trends in biotechnology

(2002)

20

1

(doi: 10.1016/s0167-7799(01)01871-6)

Self-assembly of porphyrin arrays

L Baldini, CA Hunterf

Advances in Inorganic Chemistry

(2002)

53

213

(doi: 10.1016/S0898-8838(02)53006-3)

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)

OmpA: A Pore or Not a Pore? Simulation and Modeling Studies

PJ Bond, JD Faraldo-Gómez, MSP Sansom

Biophysical journal

(2002)

83

763

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

Preface

SV Ley

(2002)

27

vii

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