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Rearrangement of Dewar Benzene Derivatives Studied by DFT
- 1.0342445 - ÚOCHB 2011 RIV US eng J - Journal Article
Dračínský, Martin - Castaňo, O. - Kotora, M. - Bouř, Petr
Rearrangement of Dewar Benzene Derivatives Studied by DFT.
Journal of Organic Chemistry. Roč. 75, č. 3 (2010), s. 576-581. ISSN 0022-3263. E-ISSN 1520-6904
R&D Projects: GA AV ČR IAA400550702; GA AV ČR KJB400550903
Grant - others:GA AV ČR(CZ) IAA401110805
Institutional research plan: CEZ:AV0Z40550506
Keywords : CPMD * dewar benzene * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.002, year: 2010
Rearrangement velocity of Dewar Benzene Derivatives was Studied by DFT using static computations of state energies as well as the ab initio dynamics.
Permanent Link: http://hdl.handle.net/11104/0185179
Number of the records: 1