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- 2005
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Mark
Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase
(
- Contribution to journal › Article
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Enhanced protein adsorption due to charge regulation
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- Contribution to journal › Article
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A combined quantum and molecular mechanical study of the O-2 reductive cleavage in the catalytic cycle of multicopper oxidases
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- Contribution to journal › Article
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Computation of conical intersections by using perturbation techniques
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- Contribution to journal › Article
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Comparison of chemical properties of iron, cobalt, and nickel porphyrins, corrins, and hydrocorphins
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- Contribution to journal › Article
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A simple analysis of thermodynamic properties for classical plasmas: II. Validation
2005) In Journal of Statistical Mechanics: Theory and Experiment(
- Contribution to journal › Article
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Ground state and electronic spectrum of Cu(II) and Cu(III) complexes of N,N '-1,2-phenylenebis-2-mercaptoacetamide
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- Contribution to journal › Article
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On the solvation of ions in small water droplets
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- Contribution to journal › Article
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Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
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- Contribution to journal › Article
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A molecule wired: Electrostatic investigation
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- Contribution to journal › Article