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Physical Chemistry Chemical Physics : PCCP|March 8, 2014
Revisiting the role of exact exchange in DFT spin-state energetics of transition metal complexesMariusz RadońInorganic Chemistry|May 23, 2015
Role of Spin States in Nitric Oxide Binding to Cobalt(II) and Manganese(II) Porphyrins. Is Tighter Binding Always Stronger?Mariusz RadońPhysical Chemistry Chemical Physics : PCCP|June 20, 2024
Predicting spin states of iron porphyrins with DFT methods including crystal packing effects and thermodynamic correctionsMariusz RadońPhysical Chemistry Chemical Physics : PCCP|November 8, 2023
Benchmarks for transition metal spin-state energetics: why and how to employ experimental reference data?Mariusz RadońJournal of Chemical Theory and Computation|November 19, 2015
Spin-State Energetics of Heme-Related Models from DFT and Coupled Cluster CalculationsMariusz RadońPhysical Chemistry Chemical Physics : PCCP|February 20, 2019
Benchmarking quantum chemistry methods for spin-state energetics of iron complexes against quantitative experimental dataMariusz RadońJournal of Chemical Theory and Computation|April 4, 2024
Approaching the Complete Basis Set Limit for Spin-State Energetics of Mononuclear First-Row Transition Metal ComplexesGabriela Drabik, Mariusz RadońJournal of Chemical Theory and Computation|December 3, 2015
Peculiarities of the Electronic Structure of Cytochrome P450 Compound I: CASPT2 and DFT ModelingMariusz Radoń, Ewa BroclawikThe Journal of Physical Chemistry. A|August 18, 2011
Mono- and dinitrosyls on copper(I) site in a zeolite model: effects of static correlationMariusz Radoń, Ewa BroclawikJournal of Chemical Theory and Computation|June 27, 2018
Spin States and Other Ligand-Field States of Aqua Complexes Revisited with Multireference ab Initio Calculations Including Solvation EffectsMariusz Radoń, Gabriela DrabikPageof 3