Publications

Author:
Year:

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"Determining the electronic structure and chemical potentials of molecules in solution"
Murdock,S.E. and Lynden-Bell,R.M. and Kohanoff,J. and Sexton,G.J., 2002

"Ferroelectricity and Isotope Effects in Hydrogen-Bonded KDP Crystals"
S. Koval and J. Kohanoff and R. L. Migoni and E. Tosatti, October 2002
doi:10.1103/physrevlett.89.187602

"Ab initio simulation of charged slabs at constant chemical potential"
A. Y. Lozovoi and A. Alavi and J. Kohanoff and R. M. Lynden-Bell, July 2002
doi:10.1063/1.1379327

"Relevance of Heterometallic Binding Energy for Metal Underpotential Deposition"
C. G. Sanchez and E. P. M. Leiva and J. Kohanoff, July 2002
doi:10.1021/la001639j

"Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution"
J. Kohanoff and S. Koval and D. A. Estrin and D. Laria and Y. Abashkin, July 2002
doi:10.1063/1.481585

"Elasticity and mechanical instabilities of diamond at megabar stresses: Implications for diamond-anvil-cell research"
Ji-Jun Zhao and S. Scandolo and J. Kohanoff and G. L. Chiarotti and E. Tosatti, July 2002
doi:10.1063/1.124424

"The status of the low-temperature phase diagram of hydrogen at the turn of the century"
Jorge Kohanoff, December 2002
doi:10.1023/a:1004896716926

"Dipole-Quadrupole Interactions and the Nature of Phase III of Compressed Hydrogen"
Jorge Kohanoff and Sandro Scandolo and Stefano de Gironcoli and Erio Tosatti, July 2002
doi:10.1103/physrevlett.83.4097

"Optimal basis set for electronic structure calculations in periodic systems"
Sandro Scandolo and Jorge Kohanoff, July 2002
doi:10.1103/physrevb.62.15499

"Linear Scaling DFT Calculations with Numerical Atomic Orbitals"
Ordejon,P. and Artacho,E. and Cachau,R. and Gale,J. and Garcia,A. and Junquera,J. and Kohanoff,J. and Machado,M. and Sanchez-Portal,D. and Soler,J.M. and Weht,R. and, 2001

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