Karel Doclo

Physics and Astronomy · Physical Sciences

7h-index477citations9works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(3), Metal complexes synthesis and properties(2), Magnetism in coordination complexes(2), Photochemistry and Electron Transfer Studies(2), Inorganic Fluorides and Related Compounds(2)

Publications9 total

Management competencies in the biotech industry in Switzerland
Alexandria (UniSG) (University of St.Gallen)·2007· 2 citedOpen Access
Conformational Equilibria of Peroxynitrous Acid in Water:  A First-Principles Molecular Dynamics Study
The Journal of Physical Chemistry A·2000· 25 citedOpen Access
A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations
JBIC Journal of Biological Inorganic Chemistry·2000· 87 citedOpen Access
Crystal-field and charge transfer transitions due to Cr3+ ions in fluorides
The Journal of Chemical Physics·1999· 52 cited
Ab initio molecular dynamics simulations of the gas-phase reaction of hydroxyl radical with nitrogen dioxide radical
Chemical Physics Letters·1998· 27 citedOpen Access
Ground State and Excited Stated Properties of Hexaamminechromium(III) Ion:  A Density Functional Study
Inorganic Chemistry·1998· 17 cited
Density Functional Description of the Ferromagnetic Exchange Interactions between Semiquinonato Radicals Mediated by Diamagnetic Metal Ions
Inorganic Chemistry·1998· 30 cited
Density Functional Calculations of Magnetic Exchange Interactions in Polynuclear Transition Metal Complexes
Inorganic Chemistry·1997· 236 cited
Charge Transfer and Crystal-Field Transitions of Cr<sup>3+</sup> in Fluorides
Materials science forum·1997· 1 cited

Frequent Co-authors

Claude Daul(4), Ursula Röthlisberger(3), Alessandro Bencini(2), J. A. Aramburu(2), M. T. Barriuso(2), Federico Totti(1), Piercarlo Fantucci(1), Vincenzo Barone(1), Paolo Carloni(1), Michele Parrinello(1), M. Moreno(1), Ilaria Ciofini(1), Elisa Giannasi(1), David De Corte(1), Hans-Ueli Güdel(1), Thierry Voléry(1), Richard Munton(1), John Shea(1), M. Sergio Moreno(1)