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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Quantum chemistry predicts multiply bonded diuranium compounds to be stable
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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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Surface transition in athermal polymer solutions
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- Contribution to journal › Letter
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Ion adsorption and Lamellar-Lamellar transitions in charged bilayer systems
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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
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Fast noniterative orbital localization for large molecules
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- Contribution to journal › Article
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EXAFS structure refinement supplemented by computational chemistry
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- Contribution to journal › Article
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The electronic spectrum of AuO: A combined theoretical and experimental study
2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(43). p.11954-11957(
- Contribution to journal › Article