Physical and theoretical chemistry
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- 2007
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Mark
Diffusion of nutrients molecules and model drug carriers through mucin layer investigated by magnetic resonance imaging with chemical shift resolution
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- Contribution to journal › Letter
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Mark
Distribution of reaction products in phospholipase A(2) hydrolysis
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- Contribution to journal › Article
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Mark
Identification of the peroxy adduct in multicopper oxidases by a combination of computational chemistry and extended X-ray absorption fine-structure measurements
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- Contribution to journal › Article
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Mark
Packaging of a flexible polyelectrolyte inside a viral capsid: Effect of salt concentration and salt valence
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- Contribution to journal › Article
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Mark
Dynamics of water molecules in the active-site cavity of human cytochromes P450
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- Contribution to journal › Article
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Mark
Laser pulse control of exciton dynamics in a biological
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- Contribution to journal › Article
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Mark
How to model solvent effects on molecular properties using quantum chemistry? Insights from polarizable discrete or continuum solvation models
2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(39). p.9890-9900(
- Contribution to journal › Article
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Mark
Ultrathin ZrO2 films on Si-rich SiC(0001)-(3x3): Growth and thermal stability
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- Contribution to journal › Article
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Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions
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- Contribution to journal › Article
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Effects of bulk inversion asymmetry and low interface symmetry on the optical properties of broken-gap heterostructures
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- Contribution to journal › Article