Time-dependent approaches for the calculation of intersystem crossing rates

Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules

(2010) Yingli Niu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Overruling the energy gap law: fast triplet formation in 6-azauracil

(2010) Mihajlo Etinski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photophysical Properties of Structurally and Electronically Modified Flavin Derivatives Determined by Spectroscopy and Theoretical Calculations

(2009) Susanne Salzmann et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-Methylthymine†

(2009) Mihajlo Etinski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Influence of the LOV Domain on Low-Lying Excited States of Flavin: A Combined Quantum-Mechanics/Molecular-Mechanics Investigation

(2009) Susanne Salzmann et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2009) Martha C. Daza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Spin-forbidden transitions in flavone

(2009) Christel M. Marian   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Spin–orbit coupling in keto-porphyrins

(2008) Martin Kleinschmidt et al.   CHEMICAL PHYSICS LETTERS

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

(2008) Serhiy Perun et al.   CHEMPHYSCHEM

Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study

(2008) Fabrizio Santoro et al.   JOURNAL OF CHEMICAL PHYSICS

The photophysics of flavins: What makes the difference between gas phase and aqueous solution?

(2008) Susanne Salzmann et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Time-resolved infrared spectroscopy of the lowest triplet state of thymine and thymidine

(2007) Patrick M. Hare et al.   CHEMICAL PHYSICS