about
Correction: Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complex.Mechanism elucidation of the cis-trans isomerization of an azole ruthenium-nitrosyl complex and its osmium counterpartMultireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complex.Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes.Peripheral ligands as electron storage reservoirs and their role in enhancement of photocatalytic hydrogen generation.Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: geometry optimization and spin-state energetics of a ruthenium nitrosyl complex.Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes.Dynamic theory of liquid junction potentials.Shedding Light on the Nature of Photoinduced States Formed in a Hydrogen-Generating Supramolecular RuPt Photocatalyst by Ultrafast SpectroscopyTheoretical Spectroscopy and Photodynamics of a Ruthenium Nitrosyl ComplexUsing computational chemistry to design Ru photosensitizers with directional charge transferStructure and dynamics of the radical cation of ethane arising from the Jahn–Teller and pseudo-Jahn–Teller effectsOpenMolcas: From Source Code to InsightApproximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field MethodCorrection to Calculation of Ligand Dissociation Energies in Large Transition-Metal ComplexesModern quantum chemistry with [Open]Molcas
P50
Q36536482-29F5566C-0E6F-4CC3-938F-7B0882503E32Q36904002-5B8E74B3-9FD1-4CEB-9E01-225554F4A9AFQ37646323-4025F2D5-A4C0-4BBD-BE4A-AFB255D2BDC4Q41230962-5C8C6063-7146-46D6-9B7E-BED679377BE3Q48056380-2664B96A-C908-47F2-87D2-84B131EAE5F3Q50790172-A20609EE-5ABE-43B8-A63A-BB086AA50FC9Q51088819-600D3C39-C88A-4F58-8873-9C99D0886B8EQ52622585-3DA3F098-E5F1-4C33-8552-2BECB344E8F6Q53487308-97379F9B-B975-4BFB-8FC4-6A7EDA7E3F99Q57399955-FEB999CB-9691-441D-9FE6-2011E0ADB834Q57399982-E2713946-BB3E-4ED8-8802-7DD679A2F73EQ57568771-58E95434-1320-413C-B3F8-EF3711318BF2Q57905273-97812F10-B245-44C7-9AFA-0B1B7EE835B3Q90059252-C77F3543-50B7-4FE3-BF41-4AAD13FAB10CQ91034113-8FF65742-A79A-40CB-9B6F-27B3603DF4BAQ92637420-79A25F4C-537C-47EA-9ECD-BE614299B301Q96156064-F1088938-5493-4B8F-9047-CB3A869703CF
P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Leon Freitag
@ast
Leon Freitag
@en
Leon Freitag
@es
Leon Freitag
@nl
Leon Freitag
@sl
type
label
Leon Freitag
@ast
Leon Freitag
@en
Leon Freitag
@es
Leon Freitag
@nl
Leon Freitag
@sl
prefLabel
Leon Freitag
@ast
Leon Freitag
@en
Leon Freitag
@es
Leon Freitag
@nl
Leon Freitag
@sl
P106
P31
P496
0000-0002-8302-1354