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Excited states of thiophene: ring opening as deactivation mechanism.
Salzmann S, Kleinschmidt M, Tatchen J, Weinkauf R, Marian CM. Salzmann S, et al. Among authors: kleinschmidt m. Phys Chem Chem Phys. 2008 Jan 21;10(3):380-92. doi: 10.1039/b710380h. Epub 2007 Sep 28. Phys Chem Chem Phys. 2008. PMID: 18174980
Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions.
Tatchen J, Kleinschmidt M, Marian CM. Tatchen J, et al. Among authors: kleinschmidt m. J Chem Phys. 2009 Apr 21;130(15):154106. doi: 10.1063/1.3115965. J Chem Phys. 2009. PMID: 19388735
We have implemented this approach into a multireference spin-orbit configuration interaction (MRSOCI) program [M. Kleinschmidt et al., J. Chem. Phys. 124, 124101 (2006)]. Test applications are carried out for various triplet state sytems. ...For a set of organic tri …
We have implemented this approach into a multireference spin-orbit configuration interaction (MRSOCI) program [M. Kleinschmidt …
Thioxanthone: on the shape of the first absorption band.
Rai-Constapel V, Kleinschmidt M, Salzmann S, Serrano-Andrés L, Marian CM. Rai-Constapel V, et al. Among authors: kleinschmidt m. Phys Chem Chem Phys. 2010 Aug 28;12(32):9320-7. doi: 10.1039/b925059j. Epub 2010 Jul 7. Phys Chem Chem Phys. 2010. PMID: 20607180
111 results