Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 23221 - 23240 of 30233 publications

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)

Chapter 4 Molecular Dynamics Simulations

D Frenkel, B Smit

(2002)

63

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

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)

Modular assembly of porphyrin sandwiches as potential hosts

CA Hunter, R Tregonning

Tetrahedron

(2002)

58

691

(doi: 10.1016/s0040-4020(01)01107-3)

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)

Chapter 12 Long-Range Interactions

D Frenkel, B Smit

(2002)

291

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

Biased Monte Carlo Schemes

D Frenkel, B Smit

(2002)

321

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

Accelerating Monte Carlo Sampling

D Frenkel, B Smit

(2002)

389

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

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)

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)

Dissipative Particle Dynamics

D Frenkel, B Smit

(2002)

465

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

Introduction

D Frenkel, B Smit

(2002)

1

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

Statistical Mechanics

D Frenkel, B Smit

(2002)

9

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

Monte Carlo Simulations

D Frenkel, B Smit

(2002)

23

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

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)

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)

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)