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Journal of Chemical Theory and Computation|June 10, 2024
How Much Electron Donation Is There In Transition Metal Complexes? A Computational StudyAugustine Obeng, Jochen AutschbachInorganic Chemistry|November 29, 2025
Atomic Orbital Energy Matching vs Overlap in Actinide-Ligand Dative BondingAsmita Sen, Augustine Obeng, Kurtis Stanistreet-Welsh, et al.The Journal of Chemical Physics|December 3, 2008
Two-component relativistic hybrid density functional computations of nuclear spin-spin coupling tensors using Slater-type basis sets and density-fitting techniquesJochen AutschbachThe Journal of Chemical Physics|October 2, 2007
Analyzing molecular properties calculated with two-component relativistic methods using spin-free natural bond orbitals: NMR spin-spin coupling constantsJochen AutschbachChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 12, 2009
Magnitude of finite-nucleus-size effects in relativistic density functional computations of indirect NMR nuclear spin-spin coupling constantsJochen AutschbachPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 12, 2014
Relativistic calculations of magnetic resonance parameters: background and some recent developmentsJochen AutschbachThe Journal of Chemical Physics|May 2, 2008
Analyzing NMR shielding tensors calculated with two-component relativistic methods using spin-free localized molecular orbitalsJochen AutschbachChirality|December 17, 2009
Computing chiroptical properties with first-principles theoretical methods: background and illustrative examplesJochen AutschbachJournal of Chemical Theory and Computation|December 16, 2016
Relativistic Effects on Electron-Nucleus Hyperfine Coupling Studied with an Exact 2-Component (X2C) HamiltonianJochen AutschbachPageof 35