Lista de obras - Leon Freitag - Dominio Público Uruguay

Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: geometry optimization and spin-state energetics of a ruthenium nitrosyl complex

artículo científico publicado en 2014

Approximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field Method

scientific article published on 20 November 2019

Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes

artículo científico publicado en 2017

Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes

artículo científico publicado en 2018

Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes

scientific article published on 05 June 2019

Correction: Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complex

artículo científico publicado en 2015

Dynamic theory of liquid junction potentials

artículo científico publicado en 2010

Mechanism elucidation of the cis-trans isomerization of an azole ruthenium-nitrosyl complex and its osmium counterpart

artículo científico publicado en 2013

Modern quantum chemistry with [Open]Molcas

scientific article published on 01 June 2020

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group ⬇️

artículo científico publicado en 2017

OpenMolcas: From Source Code to Insight

artículo científico publicado en 2019

Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complex

artículo científico publicado en 2015

Peripheral ligands as electron storage reservoirs and their role in enhancement of photocatalytic hydrogen generation

artículo científico publicado en 2016

Shedding Light on the Nature of Photoinduced States Formed in a Hydrogen-Generating Supramolecular RuPt Photocatalyst by Ultrafast Spectroscopy