T
Thomas Bally
Researcher at University of Fribourg
Publications - 171
Citations - 4296
Thomas Bally is an academic researcher from University of Fribourg. The author has contributed to research in topics: Radical ion & Excited state. The author has an hindex of 34, co-authored 171 publications receiving 4086 citations. Previous affiliations of Thomas Bally include University of Queensland & University of Wisconsin-Madison.
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Cyclobutadiene radical cation. An ab initio study of the Jahn-Teller surface
TL;DR: In this paper, the Jahn-Teller potential energy surface of the cyclobutadiene radical cation is investigated at the CCSD(T)/TZP/6-311G(2d, p) level.
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Evaluation of harmonic force fields from limited spectroscopic information and calculated Hessian matrices : butadiene
Weilin Tang,Thomas Bally +1 more
TL;DR: In this article, a fully optimized harmonic force field was obtained for butadiene on the basis of 131 observed IR and Raman frequencies of 6 isotopomers of C 2h symmetry.
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Radical Cation of 1,3-Butadiene: Resonance Raman Spectrum of Deuterated Derivatives and Improved Force Field
TL;DR: In this article, the resonance Raman spectra of the radical cations of three deuterated derivatives of 1,3-butadiene were used to generate a scaled quantum mechanical force field of butadiene radical cation based on B3LYP/6-31G second derivatives.
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Anthralin: primary products of its redox reactions.
Malgorzata Czerwinska,Adam Sikora,Piotr Szajerski,Jacek Zielonka,Jan Adamus,Andrzej Marcinek,Krzysztof Piech,Pawel Bednarek,Thomas Bally +8 more
TL;DR: One-electron reduction significantly enhances the ability of anthralin, 1, to act as a hydrogen atom donor and the anthralyl radical is found to be much more reactive toward oxygen than the anion.