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The Journal of Chemical Physics
|
November 23, 2017
DFT/MRCI Hamiltonian for odd and even numbers of electrons
Adrian Heil, Christel M Marian
Journal of Computational Chemistry
|
August 14, 2024
Simulating the full spin manifold of triplet-pair states in a series of covalently linked TIPS-pentacenes
Timo Schulz, Christel M Marian
Revista De Pediatrie, Obstetrica Si Ginecologie. Pediatria
|
April 1, 1989
[An atypical case of infantile vasculitis]
T Murgescu, M Marian, V Tăriceanu
The Journal of Chemical Physics
|
April 25, 2009
Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions
Jörg Tatchen, Martin Kleinschmidt, Christel M Marian
The Journal of Physical Chemistry. A
|
August 13, 2009
Intersystem crossing and characterization of dark states in the pyrimidine nucleobases uracil, thymine, and 1-methylthymine
Mihajlo Etinski, Timo Fleig, Christel M Marian
The Journal of Chemical Physics
|
April 8, 2006
SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules
Martin Kleinschmidt, Jörg Tatchen, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2020
Understanding the luminescence properties of Cu(i) complexes: a quantum chemical perusal
Nora Lüdtke, Jelena Föller, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
January 29, 2014
Thermal and solvent effects on the triplet formation in cinnoline
Mihajlo Etinski, Jörg Tatchen, Christel M Marian
Angewandte Chemie (International Ed. in English)
|
October 10, 2001
The Influence of Excess Ammonia on the Mechanism of the Reaction of Boron Trichloride with Ammonia-An Ab Initio Molecular Dynamics Study This work was supported by the Deutsche Forschungsgemeinschaft in the framework of the Sonderforschungsbereich 408 "Anorganische Festkörper ohne Translationssymmetrie". We thank Mauro Boero from the Joint Research Center for Atom Technology, Tsukuba (Japan) for the reoptimization of the Martins-Troullier pseudopotentials for boron and chlorine, as well as the John-von-Neumann-Institut für Computing, Jülich, for making computer time available to us
Silke Reinhardt, Christel M. Marian, Irmgard Frank
Journal of Computational Chemistry
|
May 16, 2002
Spin-orbit coupling of DFT/MRCI wavefunctions: method, test calculations, and application to thiophene
Martin Kleinschmidt, Jörg Tatchen, Christel M Marian
Page
of 15
Search research articles
Search
Showing results (21-30 of 150) with videos related to
Sort By:
Page
of 15
The Journal of Chemical Physics
|
November 23, 2017
DFT/MRCI Hamiltonian for odd and even numbers of electrons
Adrian Heil, Christel M Marian
Journal of Computational Chemistry
|
August 14, 2024
Simulating the full spin manifold of triplet-pair states in a series of covalently linked TIPS-pentacenes
Timo Schulz, Christel M Marian
Revista De Pediatrie, Obstetrica Si Ginecologie. Pediatria
|
April 1, 1989
[An atypical case of infantile vasculitis]
T Murgescu, M Marian, V Tăriceanu
The Journal of Chemical Physics
|
April 25, 2009
Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions
Jörg Tatchen, Martin Kleinschmidt, Christel M Marian
The Journal of Physical Chemistry. A
|
August 13, 2009
Intersystem crossing and characterization of dark states in the pyrimidine nucleobases uracil, thymine, and 1-methylthymine
Mihajlo Etinski, Timo Fleig, Christel M Marian
The Journal of Chemical Physics
|
April 8, 2006
SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules
Martin Kleinschmidt, Jörg Tatchen, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2020
Understanding the luminescence properties of Cu(i) complexes: a quantum chemical perusal
Nora Lüdtke, Jelena Föller, Christel M Marian
Physical Chemistry Chemical Physics : PCCP
|
January 29, 2014
Thermal and solvent effects on the triplet formation in cinnoline
Mihajlo Etinski, Jörg Tatchen, Christel M Marian
Angewandte Chemie (International Ed. in English)
|
October 10, 2001
The Influence of Excess Ammonia on the Mechanism of the Reaction of Boron Trichloride with Ammonia-An Ab Initio Molecular Dynamics Study This work was supported by the Deutsche Forschungsgemeinschaft in the framework of the Sonderforschungsbereich 408 "Anorganische Festkörper ohne Translationssymmetrie". We thank Mauro Boero from the Joint Research Center for Atom Technology, Tsukuba (Japan) for the reoptimization of the Martins-Troullier pseudopotentials for boron and chlorine, as well as the John-von-Neumann-Institut für Computing, Jülich, for making computer time available to us
Silke Reinhardt, Christel M. Marian, Irmgard Frank
Journal of Computational Chemistry
|
May 16, 2002
Spin-orbit coupling of DFT/MRCI wavefunctions: method, test calculations, and application to thiophene
Martin Kleinschmidt, Jörg Tatchen, Christel M Marian
Page
of 15