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Journal of Chemical Theory and Computation|February 23, 2021
Reduction of Hartree-Fock Wavefunctions to Kohn-Sham Effective Potentials Using Multiresolution AnalysisJulius B Stückrath, Florian A BischoffPhysical Chemistry Chemical Physics : PCCP|August 26, 2022
Infrared photodissociation spectroscopy of (Al2O3)2-5FeO+: influence of Fe-substitution on small alumina clustersSreekanta Debnath, Marcel Jorewitz, Knut R Asmis, et al.Journal of the American Chemical Society|October 8, 2020
Valence and Structure Isomerism of Al2FeO4+: Synergy of Spectroscopy and Quantum ChemistryFabian Müller, Julius B Stückrath, Florian A Bischoff, et al.The Journal of Physical Chemistry. A|June 2, 2022
Optimization of the r2SCAN-3c Composite Electronic-Structure Method for Use with Slater-Type Orbital Basis SetsThomas Gasevic, Julius B Stückrath, Stefan Grimme, et al.Inorganic Chemistry|February 18, 2022
Benchmark Study on the Calculation of 119Sn NMR Chemical ShiftsJulius B Stückrath, Thomas Gasevic, Markus Bursch, et al.Inorganic Chemistry|December 16, 2020
Comprehensive Benchmark Study on the Calculation of 29Si NMR Chemical ShiftsMarkus Bursch, Thomas Gasevic, Julius B Stückrath, et al.Angewandte Chemie (International Ed. in English)|April 19, 2021
Titanocene-Catalyzed [2+2] Cycloaddition of Bisenones and Comparison with Photoredox Catalysis and Established MethodsZhenhua Zhang, Julius B Stückrath, Stefan Grimme, et al.The Journal of Chemical Physics|November 17, 2014
Regularizing the molecular potential in electronic structure calculations. I. SCF methodsFlorian A BischoffThe Journal of Chemical Physics|November 17, 2014
Regularizing the molecular potential in electronic structure calculations. II. Many-body methodsFlorian A BischoffThe Journal of Chemical Physics|April 8, 2017
Analytic second nuclear derivatives of Hartree-Fock and DFT using multi-resolution analysisFlorian A BischoffPageof 4