Publications 2011

6Tim Fievez, Frank De Proft, Paul Geerlings, Bert M. Weckhuysen, Remco W.A. HavenithConceptual chemistry approach towards the support effect in supported vanadium oxides: Valence bond calculations on the ionicity of vanadium catalysts
Full article in pdf format
Catal. Today 177, 3-112011
5Reshmi KurianFirst principles theoretical modeling of the isomer shift of Mõssbauer spectra
Full article in pdf format
Dissertation
Promotor: prof. dr. M. Filatov
2011
4Andranik Koryunovich KazaryanTheoretical modeling of the dynamics of photo-excited states in light-driven molecular rotary motors
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Dissertation
Promotor: prof. dr. M. Filatov
2011
3Layo van het Goor, Piet Th. van Duijnen, Carola Koper, Leonardus W. Jenneskens, Remco W. A. Havenith, František Hartlπ-dimerization of pleiadiene radical cations at low temperatures revealed by UV-vis spectroelectrochemistry and quantum theory
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J Solid State Electrochem 15:2107-21172011
2Mauro Del Ben, Remco W. A. Havenith, Ria Broer, and Mauro StenerDensity Functional Study on the Morphology and Photoabsorption of CdSe Nanoclusters
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J. Phys. Chem. C, 115, 16782-167962011
1Leonardus W. Jenneskens, Remco W. A. Havenith, Alessandro Soncini and Patrick W. Fowler Aromaticity of strongly bent benzene rings: persistence of a diatropic ring current and its shielding cone in [5]paracyclophane
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Phys. Chem. Chem. Phys., 13, 16861-168662011