Publications of Markus Doerr
All genres
Journal Article (8)
2016
Journal Article
Doerr, M.; Sanchez-Garcia, E. Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study. Journal of Chemical Theory and Computation 2016, 12, 305–312.
; ; 2012
2010
Journal Article
Hsiao, Y.-W.; Sánchez-García, E.; Doerr, M.; Thiel, W. Quantum Refinement of Protein Structures: Implementation and Application to the Red Fluorescent Protein DsRed.M1. Journal of Physical Chemistry B 2010, 114, 15413–15423.
Journal Article
Sánchez-García, E.; Doerr, M.; Thiel, W. QM/MM Study of the Absorption Spectra of DsRed.M1 Chromophores. Journal of Computational Chemistry 2010, 31, 1603–1612.
2009
Journal Article
Sánchez-García, E.; Doerr, M.; Hsiao, Y.-W.; Thiel, W. QM/MM Study of the Monomeric Red Fluorescent Protein DsRed.M1. Journal of Physical Chemistry B 2009, 113, 16622–16631.