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- 2010
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Mark
Dynamics of charge separation in the excited-state chemistry of protochlorophyllide
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- Contribution to journal › Article
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Electronic structure and chemical bonding in W-2 molecule
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- Contribution to journal › Article
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Mark
Kinetics of the reaction of Cl atoms with CHCl3 over the temperature range 253-313 K
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- Contribution to journal › Article
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Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies
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- Contribution to journal › Article
- 2009
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Mark
Adiabatic connections and properties of coupling-integrated exchange-correlation holes and pair densities in density functional theory
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- Contribution to journal › Article
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Mark
Assignment of the L2,3VV normal Auger decay spectrum of Cl-2 by ab initio calculations
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- Contribution to journal › Article
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Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry
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- Contribution to journal › Article
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Interplay of covalent bonding and correlation effects at molecule-metal contacts
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- Contribution to journal › Article
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On the coupling of intermolecular polarization and repulsion through pseudo-potentials
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- Contribution to journal › Article
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Mark
A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation
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- Contribution to journal › Article