Computational Chemistry
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- 2008
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Mark
Proceedings of the 7th Liquid Matter Conference (Lund, Sweden, 27 June-1 July 2008) PREFACE
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- Contribution to journal › Debate/Note/Editorial
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Mark
Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(50). p.13058-13065(
- Contribution to journal › Article
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Mark
Induction correction model for rotation of two or three dihedral angles.
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- Contribution to journal › Article
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Mark
Specific ion binding to nonpolar surface patches of proteins
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- Contribution to specialist publication or newspaper › Specialist publication article
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Mark
Simple N UF3 and P UF3 molecules with triple bonds to uranium
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- Contribution to journal › Article
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Mark
Ab initio investigation on the chemical origin of the firefly bioluminescence
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- Contribution to journal › Article
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Mark
Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene
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- Contribution to journal › Article
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Mark
A Synthetic Analogue of Rieske-Type [2Fe-2S] Clusters
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- Contribution to journal › Article
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Mark
FAUNUS: An object oriented framework for molecular simulation
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- Contribution to journal › Article
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Mark
An intramolecular induction correction model of the molecular dipole moment.
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- Contribution to journal › Article