Computational Chemistry
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- 2006
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Surface forces mediated by charged polymers: Effects of intrinsic chain stiffness
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- Contribution to journal › Article
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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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Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
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- Contribution to journal › Article
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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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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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Prediction of activation energies for hydrogen abstraction by cytochrome P450
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- Contribution to journal › Article
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Salt enhances calmodulin-target interaction
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- Contribution to journal › Article
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Comparison of overlap-based models for approximating the exchange-repulsion energy
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- Contribution to journal › Article
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Origin invariant approaches to the calculation of two-photon circular dichroism
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- Contribution to journal › Article
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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