Computational Chemistry
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- 2006
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Mark
Repulsion between oppositely charged surfaces in multivalent electrolytes
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- Contribution to journal › Article
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Surface forces in solutions containing rigid polymers: Approaching the rod limit
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- Contribution to journal › Article
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Nitrogen-doped carbon nanotubes under electron irradiation simulated with a tight-binding model
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- Contribution to journal › Article
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The prediction of the nuclear quadrupole splitting of Sn-119 Mossbauer spectroscopy data by scalar relativistic DFT calculations
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- Contribution to journal › Article
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Mark
Polyelectrolyte mediated forces between macromolecules
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- Contribution to journal › Scientific review
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Mark
Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds - Potential emissive and electron transport materials
2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(25). p.7935-7942(
- Contribution to journal › Article
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Mark
Cholesky Decomposition of the two-electron integrals: A reliable tool for linear scaling methods?
2006) International Conference on Computational Methods in Science and Engineering 7A-B. p.1299-1299(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
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Mark
Development and Implementation of Methods in Theoretical Chemistry
2006)(
- Thesis › Doctoral thesis (monograph)
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Electrostatic Interactions In and Between Biomolecules
2006)(
- Thesis › Doctoral thesis (compilation)
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Mark
Photochemistry of bromofluorobenzenes
2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(22). p.7045-7056(
- Contribution to journal › Article