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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 28, 2011
Time-dependent density functional theory for calculating origin-independent optical rotation and rotatory strength tensorsJochen AutschbachThe Journal of Physical Chemistry. B|January 26, 2023
Unified Description of Proton NMR Relaxation in Water, Acetonitrile, and Methane from Molecular Dynamics Simulations in the Liquid, Supercritical, and Gas PhasesAdam Philips, Jochen AutschbachJournal of Chemical Theory and Computation|June 22, 2023
Strategies to Calculate Fukui Functions and Applications to Radicals with SOMO-HOMO InversionPierpaolo Morgante, Jochen AutschbachThe Journal of Physical Chemistry. A|August 22, 2022
Density Functional Response Calculations of Dispersion Coefficients <i>C</i><sub>6</sub> and <i>C</i><sub>9</sub> of Closed- and Open-Shell SystemsLaura Abella, Jochen AutschbachChemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2011
Modeling of heavy-atom-ligand NMR spin-spin coupling in solution: molecular dynamics study and natural bond orbital analysis of Hg-C coupling constantsShaohui Zheng, Jochen AutschbachJournal of the American Chemical Society|August 24, 2007
Molecular dynamics computational study of the 199Hg-199Hg NMR spin-spin coupling constants of [Hg-Hg-Hg]2+ in SO2 solutionJochen Autschbach, Mariusz SterzelThe Journal of Chemical Physics|January 6, 2006
Calculation of optical rotation with time-periodic magnetic-field-dependent basis functions in approximate time-dependent density-functional theoryMykhaylo Krykunov, Jochen AutschbachJournal of Chemical Theory and Computation|November 24, 2015
Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical RotationMonika Srebro, Jochen AutschbachJournal of Chemical Theory and Computation|November 29, 2015
Relativistic Zeroth-Order Regular Approximation Combined with Nonhybrid and Hybrid Density Functional Theory: Performance for NMR Indirect Nuclear Spin-Spin Coupling in Heavy Metal CompoundsSalvador Moncho, Jochen AutschbachMagnetic Resonance in Chemistry : MRC|June 30, 2010
Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX₃, X = F, Cl, Br, ISalvador Moncho, Jochen AutschbachPageof 35