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- 2006
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Mark
A theoretical study of the spin-forbidden reaction Fe(CO)(4) + CO -> Fe(CO)(5)
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- Contribution to journal › Article
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Mark
Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
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- Contribution to journal › Article
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Mark
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex
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- Contribution to journal › Article
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Mark
Surface forces mediated by charged polymers: Effects of intrinsic chain stiffness
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- Contribution to journal › Article
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Mark
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase
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- Contribution to journal › Article
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Mark
Conformational change of giant DNA with added salt as revealed by single molecular observation
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- Contribution to journal › Article
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Mark
Quantum chemistry predicts multiply bonded diuranium compounds to be stable
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- Contribution to journal › Article
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Mark
Surface forces in solutions containing semiflexible polymers
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- Contribution to journal › Article
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Mark
Fast noniterative orbital localization for large molecules
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- Contribution to journal › Article
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Mark
Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory
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- Contribution to journal › Article