Publications

Author:
Year:

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"Structure and Dynamics of a Confined Ionic Liquid. Topics of Relevance to Dye-Sensitized Solar Cells"
Carlos Pinilla and Mario G. Del Pópolo and Ruth M. Lynden-Bell and Jorge Kohanoff, September 2005
doi:10.1021/jp052999o

"An Isothermal-Isobaric Langevin Thermostat for Simulating Nanoparticles under Pressure: Application to Au Clusters"
Jorge Kohanoff and Alfredo Caro and Michael W. Finnis, September 2005
doi:10.1002/cphc.200400607

"Ab Initio Molecular Dynamics Simulation of a Room Temperature Ionic Liquid"
Mario G. Del Pópolo and Ruth M. Lynden-Bell and Jorge Kohanoff, March 2005
doi:10.1021/jp044414g

"Ab-initio investigations of pressure effects on the ferroelectric instabilities in KDP and DKDP"
Colizzi,G. and Kohanoff,J. and Lasave,J. and Koval,S. and Migoni,R.L., 2004

"Simulation of interfaces between room temperature ionic liquids and other liquids"
R. M. Lynden-Bell and J. Kohanoff and M. G. Del Popolo, December 2004
doi:10.1039/b405514d

"Multiple proton translocation in biomolecular systems: concerted to stepwise transition in a simple model"
Jorge J. Kohanoff * and Raul E. Cachau, December 2004
doi:10.1080/00268970410001725738

"Density Functional Theory: basics, new trends and applications, in Handbook of Molecular Physics and Quantum Chemistry, ed. S. Wilson"
Kohanoff,J. and Gidopoulos,N., 2003

"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

"On the relevance of tunneling for the isotope effect in KDP"
Koval,S. and Kohanoff,J. and Migoni,R.L., 2002

"Solvation effects on equilibria: Triazoles and N-methyl piperidinol"
Murdock,S.E. and Lynden-Bell,R.M. and Kohanoff,J. and Margulis,C.J. and Sexton,G.J., 2002

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