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List of works by Bernd Engels

A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure

scientific article published on 12 March 2021

A time-resolved photoelectron imaging study on isolated tolane: observation of the biradicalic 1Au state

scientific article published on 07 June 2019

Atomistic Approach To Simulate Processes Relevant for the Efficiencies of Organic Solar Cells as a Function of Molecular Properties. II. Kinetic Aspects

Electronic Structure and Excited-State Dynamics of an Arduengo-Type Carbene and its Imidazolone Oxidation Product

scientific article

Exciton trapping in pi-conjugated materials: a quantum-chemistry-based protocol applied to perylene bisimide dye aggregates.

scientific article

Geometry relaxation-mediated localization and delocalization of excitons in organic semiconductors: A quantum chemical study

scientific article published on 01 December 2020

Interaction of (benzylidene-hydrazono)-1,4-dihydropyridines with beta-amyloid, acetylcholine, and butyrylcholine esterases

scientific article published on 15 January 2010

Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions

scientific article published on 11 October 2019

Mechanistical Insights into the Bioconjugation Reaction of Triazolinediones with Tyrosine

scientific article published on 26 July 2018

Nitrogen fixation and reduction at boron

scientific article published in February 2018

Oligo(borolyl)benzenes--synthesis and properties

scientific article published on 27 September 2012

Pentadiynylidene and Its Methyl-Substituted Derivates: Threshold Photoelectron Spectroscopy of R1-C5-R2 Triplet Carbon Chains

scientific article published on 01 March 2019

QM/MM calculations combined with the dimer approach on the static disorder at organic-organic interfaces of thin-film organic solar cells composed of small molecules

article

Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand

scientific article published on 26 July 2018

Spatial Anisotropy of Charge Transfer at Perfluoropentacene-Pentacene (001) Single-Crystal Interfaces and its Relevance for Thin Film Devices

scientific article published on 09 November 2020

Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt

scientific article published on 13 February 2019

The dimer-approach to characterize opto-electronic properties of and exciton trapping and diffusion in organic semiconductor aggregates and crystals.

scientific article

The electronic character of PTCDA thin films in comparison to other perylene-based organic semi-conductors: ab initio-, TD-DFT and semi-empirical computations of the opto-electronic properties of large aggregates

scientific article published on 6 January 2017

The ortho-benzyne cation is not planar

scientific article published on 19 January 2018

The pentaphenylborole-2,6-lutidine adduct: a system with unusual thermochromic and photochromic properties

scientific article published on 21 February 2011

Theoretical analysis of the relaxation dynamics in perylene bisimide dimers excited by femtosecond laser pulses

scientific article

Tuneable reduction of cymantrenylboranes to diborenes or borylene-derived boratafulvenes

scientific article published on 03 November 2020

Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates

scientific article published on 21 February 2013

Unravelling the Dramatic Electrostructural Differences Between N-Heterocyclic Carbene- and Cyclic (Alkyl)(amino)carbene-Stabilized Low-Valent Main Group Species

scientific article published in 2018

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