Christel M. Marian

Overview

Best Publications

• A mean-field spin-orbit method applicable to correlated wavefunctions

  Bernd A. Heß;Christel M. Marian;Ulf Wahlgren;Odd Gropen

  1355
  Citations

• Spin–orbit coupling and intersystem crossing in molecules

  Christel M. Marian

  1065
  Citations

• Spin-Vibronic Mechanism for Intersystem Crossing

  Thomas J. Penfold;Etienne Gindensperger;Chantal Daniel;Christel M. Marian

  898
  Citations

• A new pathway for the rapid decay of electronically excited adenine.

  Christel M. Marian

  327
  Citations

• Cyclic (Amino)(aryl)carbenes Enter the Field of Chromophore Ligands: Expanded π System Leads to Unusually Deep Red Emitting CuI Compounds.

  Markus Gernert;Lukas Balles-Wolf;Florian Kerner;Ulrich Müller

  244
  Citations

• Performance of the Density Functional Theory/Multireference Configuration Interaction Method on Electronic Excitation of Extended π-Systems.

  Christel M. Marian;Natalie Gilka

  243
  Citations

• Understanding and Controlling Intersystem Crossing in Molecules.

  Christel M Marian

  239
  Citations

• The guanine tautomer puzzle : Quantum chemical investigation of ground and excited states

  Christel M. Marian

  238
  Citations

• Time-dependent approaches for the calculation of intersystem crossing rates

  Mihajlo Etinski;Jörg Tatchen;Christel M. Marian

  215
  Citations

• Spin‐orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene

  Martin Kleinschmidt;Jörg Tatchen;Christel M. Marian

  214
  Citations

• Mechanism of the Triplet-to-Singlet Upconversion in the Assistant Dopant ACRXTN

  Christel M. Marian

  208
  Citations

• Quantum Chemical Investigation of the Electronic Spectra of the Keto, Enol, and Keto−Imine Tautomers of Cytosine

  Katarina Tomić;Jörg Tatchen;Christel M Marian

  204
  Citations

• Intersystem crossing driven by vibronic spin–orbit coupling: a case study on psoralen

  Jörg Tatchen;Natalie Gilka;Christel M. Marian

  197
  Citations

• The generalized active space concept for the relativistic treatment of electron correlation. I. Kramers-restricted two-component configuration interaction

  Timo Fleig;Jeppe Olsen;Christel M. Marian

  196
  Citations

• Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO

  Rainer Klotz;Christel M. Marian;Sigrid D. Peyerimhoff;Bernd A. Hess

  192
  Citations

• Ultrafast Deactivation Mechanism of the Excited Singlet in the Light-Induced Spin Crossover of [Fe(2,2 '-bipyridine)(3)](2+)

  Carmen Sousa;Coen de Graaf;Coen de Graaf;Coen de Graaf;Andrii Rudavskyi;Ria Broer

  189
  Citations

• Singlet and Triplet Excited States and Intersystem Crossing in Free‐Base Porphyrin: TDDFT and DFT/MRCI Study

  Serhiy Perun;Serhiy Perun;Jörg Tatchen;Christel M. Marian

  171
  Citations

• A new mean-field and ECP-based spin-orbit method. Applications to Pt and PtH

  Christel M. Marian;Ulf Wahlgren

  167
  Citations

• Spin‐Orbit Coupling in Molecules

  Christel M. Marian

  165
  Citations

• Parallel multireference configuration interaction calculations on mini-β-carotenes and β-carotene

  Martin Kleinschmidt;Christel M. Marian;Mirko Waletzke;Stefan Grimme

  162
  Citations