Jorge Kohanoff
Jorge Kohanoff
Professor of Computational Chemical Physics, Queen's University Beflast
Email verificata su qub.ac.uk - Home page
TitoloCitata daAnno
Electronic structure calculations for solids and molecules: theory and computational methods
J Kohanoff
Cambridge University Press, 2006
5582006
Optical properties of porous silicon: A first-principles study
F Buda, J Kohanoff, M Parrinello
Physical review letters 69 (8), 1272, 1992
4531992
Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation on Supported Au
ZP Liu, XQ Gong, J Kohanoff, C Sanchez, P Hu
Physical review letters 91 (26), 266102, 2003
4272003
Ab initio molecular dynamics simulation of a room temperature ionic liquid
MG Del Ppolo, RM Lynden-Bell, J Kohanoff
The Journal of Physical Chemistry B 109 (12), 5895-5902, 2005
2732005
Ab initio molecular dynamics with excited electrons
A Alavi, J Kohanoff, M Parrinello, D Frenkel
Physical review letters 73 (19), 2599, 1994
2561994
Simulations of ionic liquids, solutions, and surfaces
RM Lynden-Bell, MG Del Popolo, TGA Youngs, J Kohanoff, CG Hanke, ...
Accounts of chemical research 40 (11), 1138-1145, 2007
2552007
Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells
C Pinilla, MG Del Ppolo, RM Lynden-Bell, J Kohanoff
The Journal of Physical Chemistry B 109 (38), 17922-17927, 2005
1982005
The puzzling stability of monatomic gold wires
JA Torres, E Tosatti, A Dal Corso, F Ercolessi, JJ Kohanoff, FD Di Tolla, ...
Surface science 426 (3), L441-L446, 1999
1661999
Ab initio simulation of charged slabs at constant chemical potential
AY Lozovoi, A Alavi, J Kohanoff, RM Lynden-Bell
The Journal of Chemical Physics 115 (4), 1661-1669, 2001
1542001
Polarization relaxation in an ionic liquid confined between electrified walls
C Pinilla, MG Del Ppolo, J Kohanoff, RM Lynden-Bell
The Journal of Physical Chemistry B 111 (18), 4877-4884, 2007
1352007
A possible new highly stable fulleride cluster: Li12C60
J Kohanoff, W Andreoni, M Parrinello
Chemical physics letters 198 (5), 472-477, 1992
1311992
Simulation of interfaces between room temperature ionic liquids and other liquids
RM Lynden-Bell, J Kohanoff, MG Del Popolo
Faraday discussions 129, 57-67, 2005
1172005
First-principles study of ferroelectricity and isotope effects in H-bonded crystals
S Koval, J Kohanoff, J Lasave, G Colizzi, RL Migoni
Physical Review B 71 (18), 184102, 2005
1062005
Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals
S Koval, J Kohanoff, RL Migoni, E Tosatti
Physical review letters 89 (18), 187602, 2002
1052002
Nonadiabatic forces in ion-solid interactions: the initial stages of radiation damage
AA Correa, J Kohanoff, E Artacho, D Snchez-Portal, A Caro
Physical review letters 108 (21), 213201, 2012
982012
Solid molecular hydrogen: The broken symmetry phase
J Kohanoff, S Scandolo, GL Chiarotti, E Tosatti
Physical review letters 78 (14), 2783, 1997
961997
Density functional theory: basics, new trends and applications
J Kohanoff, NI Gidopoulos
Handbook of molecular physics and quantum chemistry 2 (Part 5), 532-568, 2003
882003
Zero-point-motion effects on the structure of C 60
J Kohanoff, W Andreoni, M Parrinello
Physical Review B 46 (7), 4371, 1992
881992
Phonon spectra from short non-thermally equilibrated molecular dynamics simulations
J Kohanoff
Computational Materials Science 2 (2), 221-232, 1994
751994
Electronic Stopping Power in Gold: The Role of Electrons and the Anomaly
MA Zeb, J Kohanoff, D Snchez-Portal, A Arnau, JI Juaristi, E Artacho
Physical review letters 108 (22), 225504, 2012
732012
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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