Foglia, Nicolás Oscar

PRODUCCION CIENTÍFICO TECNOLÓGICA

Mostrando ítems 1-7 de 7

Artículo Chemical reactivity and spectroscopy explored from QM/MM molecular dynamics simulations using the LIO code

Marcolongo, Juan Pablo ; Zeida Camacho, Ari Fernando ; Semelak, Jonathan Alexis ; Foglia, Nicolás Oscar ; Morzan, Uriel ; Estrin, Dario Ariel ; González Lebrero, Mariano Camilo ; Scherlis Perel, Damian Ariel (Frontiers Media SA, 2018-03)
Artículo Going beyond the electric-dipole approximation in the calculation of absorption and (magnetic) circular dichroism spectra including scalar relativistic and spin-orbit coupling effects

Foglia, Nicolás Oscar ; Maganas, Dimitrios; Neese, Frank (American Institute of Physics, 2022-08)
Artículo In Silico Insight into the Reductive Nitrosylation of Ferric Hemeproteins

Foglia, Nicolás Oscar ; Bari, Sara Elizabeth ; Estrin, Dario Ariel (American Chemical Society, 2020-03)
Artículo Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands

Semelak, Jonathan Alexis ; Zeida, Ari; Foglia, Nicolás Oscar ; Estrin, Dario Ariel (American Chemical Society, 2023-08)
Artículo Reaction path analysis from potential energy contributions using forces: An accessible estimator of reaction coordinate adequacy

Foglia, Nicolás Oscar ; González Lebrero, Mariano Camilo ; Biekofsky, Rodolfo R.; Estrin, Dario Ariel (American Chemical Society, 2020-01-30)
Artículo Role of core electrons in quantum dynamics using TDDFT

Foglia, Nicolás Oscar ; Morzan, Uriel ; Estrin, Dario Ariel ; Scherlis Perel, Damian Ariel ; González Lebrero, Mariano Camilo (American Chemical Society, 2017-01)
Artículo Spectroscopy in Complex Environments from QM-MM Simulations

Morzan, Uriel ; Alonso de Armiño, Diego Javier ; Foglia, Nicolás Oscar ; Ramírez, Francisco Fernando ; González Lebrero, Mariano Camilo ; Scherlis Perel, Damian Ariel ; Estrin, Dario Ariel (American Chemical Society, 2018-04)

Mostrando ítems 1-7 de 7