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Journal of Computational Chemistry|December 5, 2006
The role of radial nodes of atomic orbitals for chemical bonding and the periodic tableMartin KauppBiochemistry|February 28, 2002
The function of photosystem I. Quantum chemical insight into the role of tryptophan-quinone interactionsMartin KauppAngewandte Chemie (International Ed. in English)|October 10, 2001
"Non-VSEPR" Structures and Bonding in d(0) SystemsMartin KauppAdvanced Science (Weinheim, Baden-Wurttemberg, Germany)|June 10, 2025
Shifting Acetylene Hydrochlorination From the Gas to the Liquid Phase: Vinyl Chloride Production in Bichloride-Based Ionic LiquidsGesa H Dreyhsig, Vera Giulimondi, Merlin Kleoff, et al.Journal of the American Chemical Society|January 14, 2025
Solvent-Dependent Reactivity of Fe(CO)<sub>5</sub> under Superacidic and Oxidative ConditionsWilli R Berg, Marc Reimann, Robin Sievers, et al.Journal of Chemical Theory and Computation|December 14, 2019
Noncollinear Relativistic Two-Component X2C Calculations of Hyperfine Couplings Using Local Hybrid Functionals. Importance of the High-Density Coordinate Scaling LimitArtur Wodyński, Martin KauppThe Journal of Physical Chemistry. A|August 9, 2021
Reliable TDDFT Protocol Based on a Local Hybrid Functional for the Prediction of Vibronic Phosphorescence Spectra Applied to Tris(2,2'-bipyridine)-Metal ComplexesRobin Grotjahn, Martin KauppThe Journal of Physical Chemistry. B|April 14, 2006
Molecular mechanical devices based on quinone-pyrrole and quinone-indole dyads: a computational studySylwia Kacprzak, Martin KauppThe Journal of Physical Chemistry. A|October 3, 2012
Predicting the localized/delocalized character of mixed-valence diquinone radical anions. Toward the right answer for the right reasonManuel Renz, Martin KauppPageof 26