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Angewandte Chemie (International Ed. in English)|January 16, 2018
A Non-Heme Iron Photocatalyst for Light-Driven Aerobic Oxidation of MethanolJuan Chen, Stepan Stepanovic, Apparao Draksharapu, et al.Physical Chemistry Chemical Physics : PCCP|December 12, 2012
General treatment of the multimode Jahn-Teller effect: study of fullerene cationsHarry Ramanantoanina, Matija Zlatar, Pablo García-Fernández, et al.The Journal of Chemical Physics|November 12, 2013
A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theoryPablo García-Fernández, Ljubica Andjelković, Matija Zlatar, et al.The Journal of Physical Chemistry. A|August 31, 2011
Treatment of the multimode Jahn-Teller problem in small aromatic radicalsMaja Gruden-Pavlović, Pablo García-Fernández, Ljubica Andjelković, et al.Organic Letters|July 27, 2016
Gold(I)-Catalyzed Domino Cyclizations of Diynes for the Synthesis of Functionalized Cyclohexenone Derivatives. Total Synthesis of (-)-Gabosine H and (-)-6-epi-Gabosine HBojan Vulovic, Dusan Kolarski, Filip Bihelovic, et al.Journal of Chemical Theory and Computation|November 19, 2015
A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn-Teller EffectPablo García-Fernández, Jose Antonio Aramburu, Miguel Moreno, et al.Physical Chemistry Chemical Physics : PCCP|November 21, 2020
Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+<i>U</i> model on nickel coordination compoundsStepan Stepanovic, Rui Lai, Marcus Elstner, et al.Inorganic Chemistry|November 21, 2013
Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: a density functional theory studyStepan Stepanović, Ljubica Andjelković, Matija Zlatar, et al.Inorganic Chemistry|March 31, 2018
Selective Photo-Induced Oxidation with O<sub>2</sub> of a Non-Heme Iron(III) Complex to a Bis(imine-pyridyl)iron(II) ComplexJuan Chen, Duenpen Unjaroen, Stepan Stepanovic, et al.Journal of Computational Chemistry|October 10, 2018
Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 modelMilena Vujović, Mioy Huynh, Sebastian Steiner, et al.Pageof 4