Showing results (301-310 of 540) with videos related to
Sort By:
Pageof 54
Physical Chemistry Chemical Physics : PCCP|May 22, 2010
Revisiting the nitrosyl complex of myoglobin by high-field pulse EPR spectroscopy and quantum mechanical calculationsMarina Radoul, Mahesh Sundararajan, Alexey Potapov, et al.The Journal of Chemical Physics|March 23, 2020
Mechanism of L2,3-edge x-ray magnetic circular dichroism intensity from quantum chemical calculations and experiment-A case study on V(IV)/V(III) complexesDimitrios Maganas, Joanna K Kowalska, Casey Van Stappen, et al.The Journal of Physical Chemistry Letters|September 30, 2016
Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave FunctionsLibor Veis, Andrej Antalík, Jiří Brabec, et al.Journal of Chemical Theory and Computation|April 6, 2023
Measuring Electron Correlation: The Impact of Symmetry and Orbital TransformationsRóbert Izsák, Aleksei V Ivanov, Nick S Blunt, et al.Journal of Chemical Theory and Computation|February 22, 2022
Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster ApproachesSinjini Bhattacharjee, Miho Isegawa, Miquel Garcia-Ratés, et al.Journal of Chemical Theory and Computation|June 8, 2017
Multilevel Approaches within the Local Pair Natural Orbital FrameworkManuel Sparta, Marius Retegan, Peter Pinski, et al.Journal of the American Chemical Society|May 3, 2023
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?Maria Drosou, Gerard Comas-Vilà, Frank Neese, et al.The Journal of Physical Chemistry Letters|October 4, 2016
Surface Adsorption Energetics Studied with "Gold Standard" Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)Adam Kubas, Daniel Berger, Harald Oberhofer, et al.Current Opinion in Chemical Biology|March 21, 2016
Recent developments in biological water oxidationMontserrat Pérez-Navarro, Frank Neese, Wolfgang Lubitz, et al.The Journal of Biological Chemistry|March 11, 2004
NADH oxidation by the Na+-translocating NADH:quinone oxidoreductase from Vibrio cholerae: functional role of the NqrF subunitKarin Türk, Andrea Puhar, Frank Neese, et al.Pageof 54