Federico Zahariev

ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data

Mark S. Gordon, Theresa L. Windus, Federico Zahariev, 2017, J. Chem. Inf. Model..

Ground-state energy as a simple sum of orbital energies in Kohn-Sham theory: a shift in perspective through a shift in potential.

Federico Zahariev, Mel Levy, 2014, Physical review letters.

Analytic second derivative of the energy for density functional theory based on the three-body fragment molecular orbital method.

Michael W. Schmidt, Shinichiro Nakamura, Kazuo Kitaura, 2015, The Journal of chemical physics.

Nonlinear response time-dependent density functional theory combined with the effective fragment potential method.

Mark S Gordon, Federico Zahariev, M. Gordon, 2014, The Journal of chemical physics.

Solvent-induced shift of the lowest singlet π → π* charge-transfer excited state of p-nitroaniline in water: an application of the TDDFT/EFP1 method.

Mark S Gordon, Federico Zahariev, M. Gordon, 2011, The journal of physical chemistry. A.

Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods.

Mark S Gordon, Federico Zahariev, M. Gordon, 2016, The journal of physical chemistry. B.

Benchmarking the performance of time-dependent density functional methods.

Mark S Gordon, Federico Zahariev, Sarom S Leang, 2012, The Journal of chemical physics.