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- 2011
-
Mark
The CCSD(T) Model With Cholesky Decomposition of Orbital Energy Denominators
(
- Contribution to journal › Article
- 2009
-
Mark
Role of Electronic Curve Crossing of Benzene S-1 State in the Photodissociation of Aryl Halides, Effect of Fluorination: RASSI-SO MS-CASPT2 Study
(
- Contribution to journal › Article
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Mark
The Charge Capacitance of the Chemical Bond: Application to Bonds Containing Metals
(
- Contribution to journal › Article
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Mark
Improvement of the NEMO Potential by Inclusion of Intramolecular Polarization
(
- Contribution to journal › Article
- 2006
-
Mark
DFT Modeling of Bare and Dye-sensitized TiO2 Nanocrystals
(
- Contribution to journal › Article
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Mark
Excited state properties of the chromophore of the asFP595 chromoprotein: 2D and 3D theoretical analyses
(
- Contribution to journal › Article
- 2005
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Mark
Variational energy functionals of the Green function tested on molecules
(
- Contribution to journal › Article
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Mark
Theoretical study of structure of catalytic copper site in nitrite reductase
(
- Contribution to journal › Article
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Mark
Correlation and spin polarization in quantum dots: Local spin density functional theory revisited
(
- Contribution to journal › Article
- 2004
-
Mark
2MOLCAS as a development platform for quantum chemistry software
(
- Contribution to journal › Article