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Inorganic Chemistry
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July 19, 2016
Phosphorescence or Thermally Activated Delayed Fluorescence? Intersystem Crossing and Radiative Rate Constants of a Three-Coordinate Copper(I) Complex Determined by Quantum-Chemical Methods
Jelena Föller, Martin Kleinschmidt, Christel M Marian
The Journal of Physical Chemistry. A
|
July 13, 2006
Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine
Katarina Tomić, Jörg Tatchen, Christel M Marian
Journal of Chemical Theory and Computation
|
January 4, 2017
Assessment of Interstate Spin-Orbit Couplings from Linear Response Amplitudes
Fabian Dinkelbach, Martin Kleinschmidt, Christel M Marian
The Journal of Chemical Physics
|
January 24, 2016
Redesign of the DFT/MRCI Hamiltonian
Igor Lyskov, Martin Kleinschmidt, Christel M Marian
The Journal of Chemical Physics
|
June 10, 2019
Erratum: "On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function" [J. Chem. Phys. 149, 164106 (2018)]
Adrian Heil, Martin Kleinschmidt, Christel M Marian
The Journal of Chemical Physics
|
September 5, 2024
Toward the improvement of vibronic spectra and non-radiative rate constants using the vertical Hessian method
Tobias Böhmer, Martin Kleinschmidt, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2009
Intersystem crossing driven by vibronic spin-orbit coupling: a case study on psoralen
Jörg Tatchen, Natalie Gilka, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2017
Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene
Igor Lyskov, Horst Köppel, Christel M Marian
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 15, 2008
Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study
Serhiy Perun, Jörg Tatchen, Christel M Marian
The Journal of Chemical Physics
|
July 9, 2021
Internal conversion of singlet and triplet states employing numerical DFT/MRCI derivative couplings: Implementation, tests, and application to xanthone
Mario Bracker, Christel M Marian, Martin Kleinschmidt
Page
of 15
Search research articles
Search
Showing results (31-40 of 150) with videos related to
Sort By:
Page
of 15
Inorganic Chemistry
|
July 19, 2016
Phosphorescence or Thermally Activated Delayed Fluorescence? Intersystem Crossing and Radiative Rate Constants of a Three-Coordinate Copper(I) Complex Determined by Quantum-Chemical Methods
Jelena Föller, Martin Kleinschmidt, Christel M Marian
The Journal of Physical Chemistry. A
|
July 13, 2006
Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine
Katarina Tomić, Jörg Tatchen, Christel M Marian
Journal of Chemical Theory and Computation
|
January 4, 2017
Assessment of Interstate Spin-Orbit Couplings from Linear Response Amplitudes
Fabian Dinkelbach, Martin Kleinschmidt, Christel M Marian
The Journal of Chemical Physics
|
January 24, 2016
Redesign of the DFT/MRCI Hamiltonian
Igor Lyskov, Martin Kleinschmidt, Christel M Marian
The Journal of Chemical Physics
|
June 10, 2019
Erratum: "On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function" [J. Chem. Phys. 149, 164106 (2018)]
Adrian Heil, Martin Kleinschmidt, Christel M Marian
The Journal of Chemical Physics
|
September 5, 2024
Toward the improvement of vibronic spectra and non-radiative rate constants using the vertical Hessian method
Tobias Böhmer, Martin Kleinschmidt, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2009
Intersystem crossing driven by vibronic spin-orbit coupling: a case study on psoralen
Jörg Tatchen, Natalie Gilka, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2017
Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene
Igor Lyskov, Horst Köppel, Christel M Marian
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 15, 2008
Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study
Serhiy Perun, Jörg Tatchen, Christel M Marian
The Journal of Chemical Physics
|
July 9, 2021
Internal conversion of singlet and triplet states employing numerical DFT/MRCI derivative couplings: Implementation, tests, and application to xanthone
Mario Bracker, Christel M Marian, Martin Kleinschmidt
Page
of 15