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Physical Chemistry Chemical Physics : PCCP|May 6, 2017
The dimer-approach to characterize opto-electronic properties of and exciton trapping and diffusion in organic semiconductor aggregates and crystalsBernd Engels, Volker EngelJournal of Computational Chemistry|December 23, 2006
Gradient tabu searchSvetlana Stepanenko, Bernd EngelsThe Journal of Physical Chemistry. A|December 2, 2015
Benchmarking Ground-State Geometries and Vertical Excitation Energies of a Selection of P-Type Semiconducting Molecules with Different PolarityCharlotte Brückner, Bernd EngelsThe Journal of Physical Chemistry. B|June 18, 2013
Clarification on the decarboxylation mechanism in KasA based on the protonation state of key residues in the acyl-enzyme stateWook Lee, Bernd EngelsChemistry (Weinheim an Der Bergstrasse, Germany)|October 21, 2003
Theoretical investigation of the photochemical C2-C6 cyclisation of enyne-heteroallenesCarsten Spöler, Bernd EngelsJournal of Computational Chemistry|October 3, 2007
New Tabu Search based global optimization methods outline of algorithms and study of efficiencySvetlana Stepanenko, Bernd EngelsThe Journal of Physical Chemistry. A|September 23, 2009
Tabu search based strategies for conformational searchSvetlana Stepanenko, Bernd EngelsThe Journal of Physical Chemistry. A|April 4, 2007
Rational design of substituted N-alkoxypyridine-2(1H)thiones with increased stability against daylightMario Arnone, Bernd EngelsAngewandte 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 EngelsPageof 19