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Angewandte Chemie (International Ed. in English)|January 6, 2009
Stable five-membered-ring allenes with second-row elements only: not allenes, but zwitterionsManfred Christl, Bernd EngelsJournal of Computational Chemistry|April 10, 2016
A theoretical description of charge reorganization energies in molecular organic P-type semiconductorsCharlotte Brückner, Bernd EngelsBiochemistry|February 1, 2014
The protonation state of catalytic residues in the resting state of KasA revisited: detailed mechanism for the activation of KasA by its own substrateWook Lee, Bernd EngelsJournal of Computational Chemistry|May 11, 2006
DIESEL-MP2: a new program to perform large-scale multireference-MP2 computationsPatrick Musch, Bernd EngelsThe Journal of Physical Chemistry. A|November 3, 2006
Computer-aided design of promising photochemical alkoxy radical precursorsMario Arnone, Bernd EngelsPlos One|December 13, 2019
Generalized nonlinear Schrödinger equations describing the Second Harmonic Generation of femtosecond pulse, containing a few cycles, and their integrals of motionVyacheslav A Trofimov, Svetlana Stepanenko, Alexander RazgulinAngewandte Chemie (International Ed. in English)|May 2, 2018
Which Structural Elements Are Relevant for the Efficacy of Neocarzinostatin?Patrick W Musch, Bernd EngelsThe Journal of Organic Chemistry|December 31, 2004
Theoretical studies about the influence of different ring substituents on the nucleophilic ring opening of three-membered heterocycles and possible implications for the mechanisms of cysteine protease inhibitorsHolger Helten, Tanja Schirmeister, Bernd EngelsThe Journal of Chemical Physics|April 26, 2005
An ab initio study of the vibronic, spin-orbit, and magnetic hyperfine structure in the X2Pi electronic state of NCOMilena Mladenović, Miljenko Perić, Bernd EngelsJournal of Chemical Theory and Computation|November 21, 2015
Benchmark Study for the Cysteine-Histidine Proton Transfer Reaction in a Protein Environment: Gas Phase, COSMO, QM/MM ApproachesAlexander Paasche, Tanja Schirmeister, Bernd EngelsPageof 17