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Weitere Publikationen von Autoren mit dem selben Namen

Nature of the ring-closure process along the rearrangement of octa-1, 3, 5, 7-tetraene to cycloocta-1, 3, 5-triene from the perspective of the electron localization function and catastrophe theory., , , und . Journal of Computational Chemistry, 33 (7): 748-756 (2012)New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis., , , und . Journal of Computational Chemistry, 34 (9): 780-789 (2013)Topological analysis of electron density in depleted homopolar chemical bonds., , , , und . Journal of Computational Chemistry, 20 (14): 1517-1526 (1999)Nine questions on energy decomposition analysis., , , , , , , , , und 20 andere Autor(en). Journal of Computational Chemistry, 40 (26): 2248-2283 (2019)A joint study based on the electron localization function and catastrophe theory of the chameleonic and centauric models for the Cope rearrangement of 1, 5-hexadiene and its cyano derivatives., und . Journal of Computational Chemistry, 26 (14): 1427-1437 (2005)Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster., , , und . Journal of Computational Chemistry, 31 (13): 2493-2501 (2010)New insights on the bridge carbon-carbon bond in propellanes: A theoretical study based on the analysis of the electron localization function., , und . Journal of Computational Chemistry, 28 (5): 857-864 (2007)Electronic fluxes during diels-alder reactions involving 1, 2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory., , , , und . Journal of Computational Chemistry, 33 (30): 2400-2411 (2012)Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase., , und . Journal of Computer-Aided Molecular Design, 32 (5): 607-622 (2018)Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations., , , , und . Journal of Chemical Information and Modeling, 57 (4): 958-976 (2017)