Search filters

List of works by Markus Doerr

A quantum chemical investigation of the electronic structure of thionine

scientific article published on 02 December 2011

A theoretical study of thionine: spin–orbit coupling and intersystem crossing

scientific article published on 01 December 2012

Concerted double proton-transfer electron-transfer between catechol and superoxide radical anion

scientific article published on 20 September 2017

Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study

scientific article published on 01 December 2015

Internal heavy atom effects in phenothiazinium dyes: enhancement of intersystem crossing via vibronic spin–orbit coupling

scientific article published on 01 May 2015

Isomerization mechanism of the HcRed fluorescent protein chromophore

scientific article published on 16 July 2012

Photophysics of phenalenone: quantum-mechanical investigation of singlet-triplet intersystem crossing

scientific article published on 29 January 2009

Protonation-State-Driven Photophysics in Phenothiazinium Dyes: Intersystem Crossing and Singlet-Oxygen Production

QM/MM calculation of solvent effects on absorption spectra of guanine.

scientific article published in January 2010

QM/MM studies of structural and energetic properties of the far-red fluorescent protein HcRed

scientific article published on 19 January 2010

QM/MM study of the absorption spectra of DsRed.M1 chromophores

scientific article published in June 2010

QM/MM study of the monomeric red fluorescent protein DsRed.M1.

scientific article published in December 2009

Quantum Mechanics/Molecular Mechanics Insights into the Enantioselectivity of the O-Acetylation of (R,S)-Propranolol Catalyzed by Candida antarctica Lipase B

scholarly article by Andrés M. Escorcia et al published 30 November 2016 in ACS Catalysis

Quantum refinement of protein structures: implementation and application to the red fluorescent protein DsRed.M1.

scientific article published on 26 October 2010

The 15N chemical shifts in mixed NB2Si and NBSi2 environments of Si3B3N7—A theoretical investigation

scientific article published on 26 January 2006

Paulina is supported by:

About Paulina

Help