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Federico Zahariev

Showing results (1-10 of 22) with videos related to

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Physical Review Letters|September 27, 2014
Ground-state energy as a simple sum of orbital energies in Kohn-Sham theory: a shift in perspective through a shift in potentialMel Levy, Federico Zahariev
The Journal of Physical Chemistry. A|December 23, 2016
Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital EnergiesFederico Zahariev, Mel Levy
The Journal of Chemical Physics|May 17, 2014
Nonlinear response time-dependent density functional theory combined with the effective fragment potential methodFederico Zahariev, Mark S Gordon
Journal of Chemical Information and Modeling|October 31, 2025
A Comprehensive Machine Learning Model for Metal-Ligand Binding Prediction: Applications in Chemistry and BiologyErandika Karunaratne, Federico Zahariev, Marilú Pérez García
Journal of Chemical Theory and Computation|November 19, 2015
The R(-7) Dispersion Interaction in the General Effective Fragment Potential MethodPeng Xu, Federico Zahariev, Mark S Gordon
The Journal of Chemical Physics|March 20, 2012
Benchmarking the performance of time-dependent density functional methodsSarom S Leang, Federico Zahariev, Mark S Gordon
The Journal of Physical Chemistry. A|March 21, 2015
Combined fragment molecular orbital cluster in molecule approach to massively parallel electron correlation calculations for large systemsAlexander D Findlater, Federico Zahariev, Mark S Gordon
Journal of the American Chemical Society|December 5, 2008
Elucidating the nature of the Streptomyces plicatus beta-hexosaminidase-bound intermediate using ab initio molecular dynamics simulationsIan R Greig, Federico Zahariev, Stephen G Withers
The Journal of Chemical Physics|December 3, 2008
Solvent effects on optical properties of molecules: a combined time-dependent density functional theory/effective fragment potential approachSoohaeng Yoo, Federico Zahariev, Sarom Sok, et al.
The Journal of Physical Chemistry. A|July 29, 2011
Solvent-induced shift of the lowest singlet π → π* charge-transfer excited state of p-nitroaniline in water: an application of the TDDFT/EFP1 methodSarom Sok, Soohaeng Y Willow, Federico Zahariev, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Physical Review Letters|September 27, 2014
Ground-state energy as a simple sum of orbital energies in Kohn-Sham theory: a shift in perspective through a shift in potentialMel Levy, Federico Zahariev
The Journal of Physical Chemistry. A|December 23, 2016
Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital EnergiesFederico Zahariev, Mel Levy
The Journal of Chemical Physics|May 17, 2014
Nonlinear response time-dependent density functional theory combined with the effective fragment potential methodFederico Zahariev, Mark S Gordon
Journal of Chemical Information and Modeling|October 31, 2025
A Comprehensive Machine Learning Model for Metal-Ligand Binding Prediction: Applications in Chemistry and BiologyErandika Karunaratne, Federico Zahariev, Marilú Pérez García
Journal of Chemical Theory and Computation|November 19, 2015
The R(-7) Dispersion Interaction in the General Effective Fragment Potential MethodPeng Xu, Federico Zahariev, Mark S Gordon
The Journal of Chemical Physics|March 20, 2012
Benchmarking the performance of time-dependent density functional methodsSarom S Leang, Federico Zahariev, Mark S Gordon
The Journal of Physical Chemistry. A|March 21, 2015
Combined fragment molecular orbital cluster in molecule approach to massively parallel electron correlation calculations for large systemsAlexander D Findlater, Federico Zahariev, Mark S Gordon
Journal of the American Chemical Society|December 5, 2008
Elucidating the nature of the Streptomyces plicatus beta-hexosaminidase-bound intermediate using ab initio molecular dynamics simulationsIan R Greig, Federico Zahariev, Stephen G Withers
The Journal of Chemical Physics|December 3, 2008
Solvent effects on optical properties of molecules: a combined time-dependent density functional theory/effective fragment potential approachSoohaeng Yoo, Federico Zahariev, Sarom Sok, et al.
The Journal of Physical Chemistry. A|July 29, 2011
Solvent-induced shift of the lowest singlet π → π* charge-transfer excited state of p-nitroaniline in water: an application of the TDDFT/EFP1 methodSarom Sok, Soohaeng Y Willow, Federico Zahariev, et al.
Pageof 3