Publications

Author:
Year:

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"The coordination chemistry of 1,2,4-triazinyl bipyridines with lanthanide(iii) elements – implications for the partitioning of americium(iii)"
Michael J. Hudson and Michael G. B. Drew and Mark R. StJ. Foreman and Clément Hill and Nathalie Huet and Charles Madic and Tristan G. A. Youngs, April 2003
doi:10.1039/b301178j

"Surface alloying and mixing at the Mn/Fe(001) interface: Real-time photoelectron spectroscopy and modified embedded atom simulations"
Piero Torelli and Fausto Sirotti and Pietro Ballone, November 2003
doi:10.1103/physrevb.68.205413

"Evaluation of diffusion mechanisms in NiAl by embedded-atom and first-principles calculations"
Y. Mishin and A. Y. Lozovoi and A. Alavi, January 2003
doi:10.1103/physrevb.67.014201

"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

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