Publications by authors named "Markus Doerr"

Claim this Profile
C
Corrigendum to "Effect of the CER[NP]:CER[AP] a ratio on the structure of a stratum corneum model lipid matrix - a molecular dynamics study" [Chem. Phys. Lipid. 250 (2023) 105259].
Natalia Rivero, Martha C Daza, Markus Doerr

Chem Phys Lipids· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A computational study on the photophysics of methylpheophorbide a.
Hernán Rueda Bueno, Julio R Pinzón, Martha C Daza, Markus Doerr

Phys Chem Chem Phys· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Effect of the CER[NP]:CER[AP] a ratio on the structure of a stratum corneum model lipid matrix - a molecular dynamics study.
Natalia Rivero, Martha C Daza, Markus Doerr

Chem Phys Lipids· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
O
On the separation of enantiomers by drift tube ion mobility spectrometry.
Roberto Fernández-Maestre, Markus Doerr

Anal Methods· August 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
F
Finite-temperature effect in the O-acylation of (R,S)-propranolol catalyzed by Candida antarctica lipase B.
Daniel I Barrera Valderrama, Martha C Daza, Markus Doerr

J Mol Graph Model· September 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
H
Hydrogen Bonds and n → π* Interactions in the Acetylation of Propranolol Catalyzed by Lipase B: A QTAIM Study.
David A Rincón, Markus Doerr, Martha C Daza

ACS Omega· August 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Effect of the acyl-group length on the chemoselectivity of the lipase-catalyzed acylation of propranolol-a computational study.
Markus Doerr, Alexander Romero, Martha C Daza

J Mol Model· June 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Concerted double proton-transfer electron-transfer between catechol and superoxide radical anion.
Jorge Quintero-Saumeth, David A Rincón, Markus Doerr, Martha C Daza

Phys Chem Chem Phys· October 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study.
Holger F Bettinger, Christina Tönshoff, Markus Doerr, Elsa Sanchez-Garcia

J Chem Theory Comput· January 2016

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Internal heavy atom effects in phenothiazinium dyes: enhancement of intersystem crossing via vibronic spin-orbit coupling.
Angela Rodriguez-Serrano, Vidisha Rai-Constapel, Martha C Daza, Markus Doerr, Christel M Marian

Phys Chem Chem Phys· May 2015

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A theoretical study of thionine: spin-orbit coupling and intersystem crossing.
Angela Rodriguez-Serrano, Vidisha Rai-Constapel, Martha C Daza, Markus Doerr, Christel M Marian

Photochem Photobiol Sci· December 2012

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Isomerization mechanism of the HcRed fluorescent protein chromophore.
Qiao Sun, Zhen Li, Zhenggang Lan, Christoph Pfisterer, Markus Doerr

Phys Chem Chem Phys· August 2012

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A quantum chemical investigation of the electronic structure of thionine.
Angela Rodriguez-Serrano, Martha C Daza, Markus Doerr, Christel M Marian

Photochem Photobiol Sci· February 2012

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Quantum refinement of protein structures: implementation and application to the red fluorescent protein DsRed.M1.
Ya-Wen Hsiao, Elsa Sanchez-Garcia, Markus Doerr, Walter Thiel

J Phys Chem B· November 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
QM/MM study of the absorption spectra of DsRed.M1 chromophores.
Elsa Sanchez-Garcia, Markus Doerr, Walter Thiel

J Comput Chem· June 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
QM/MM studies of structural and energetic properties of the far-red fluorescent protein HcRed.
Qiao Sun, Markus Doerr, Zhen Li, Sean C Smith, Walter Thiel

Phys Chem Chem Phys· March 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
QM/MM calculation of solvent effects on absorption spectra of guanine.
Maja Parac, Markus Doerr, Christel M Marian, Walter Thiel

J Comput Chem· January 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
QM/MM study of the monomeric red fluorescent protein DsRed.M1.
Elsa Sanchez-Garcia, Markus Doerr, Ya-Wen Hsiao, Walter Thiel

J Phys Chem B· December 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Photophysics of phenalenone: quantum-mechanical investigation of singlet-triplet intersystem crossing.
Martha C Daza, Markus Doerr, Susanne Salzmann, Christel M Marian, Walter Thiel

Phys Chem Chem Phys· March 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The 15N chemical shifts in mixed NB2Si and NBSi2 environments of Si3B3N7--a theoretical investigation.
Markus Doerr, Christel M Marian

Solid State Nucl Magn Reson· July 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis