Publications

Author:
Year:

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"Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au"
Zhi-Pan Liu and Xue-Qing Gong and Jorge Kohanoff and Cristián Sanchez and P. Hu, December 2003
doi:10.1103/physrevlett.91.266102

"The α-alumina(0001)surface: relaxations and dynamics from shell model and density functional theory"
A Marmier and A Lozovoi and M.W Finnis, September 2003
doi:10.1016/s0955-2219(03)00283-8

"A Simulation Study of Water−Dialkylimidazolium Ionic Liquid Mixtures"
C. G. Hanke and R. M. Lynden-Bell, September 2003
doi:10.1021/jp034221d

"Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times"
C. Toubin and S. Picaud and P. N. M. Hoang and C. Girardet and R. M. Lynden-Bell and James T. Hynes, May 2003
doi:10.1063/1.1570408

"Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study"
C.G. Hanke and A. Johansson and J.B. Harper and R.M. Lynden-Bell, May 2003
doi:10.1016/s0009-2614(03)00703-6

"On the Reasons for Stepwise Changes in the Tunneling Current across Metallic Nanogaps"
Claudio F. Narambuena and Mario G. Del Pópolo and Ezequiel P. M. Leiva, December 2003
doi:10.1021/nl034474i

"Atomistic Molecular Dynamics Simulations of Chemical Force Microscopy"
David L. Patrick and Flanagan and Patrick Kohl and Ruth M. Lynden-Bell, May 2003
doi:10.1021/ja0345367

"PURE VIBRATIONAL DEPHASING OF TRIIODIDE IN LIQUIDS AND GLASSES"
F. S. ZHANG and R. M. LYNDEN-BELL, April 2003
doi:10.1142/s0217732303010570

"Temperature and solvent dependence of vibrational relaxation of tri-iodide: A simulation study"
F. S. Zhang and R. M. Lynden-Bell, September 2003
doi:10.1063/1.1603718

"Finite element modeling of the porosity formation in castings"
I.H. Katzarov, February 2003
doi:10.1016/s0017-9310(02)00444-1

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