Quantum Chemical Studies on Heterocyclic Rearrangements in Benzofuroxans: Reaction Paths, Vibrational Spectra, and Rate Constants

DOI10.1007/978-3-642-59686-5_16MaRDI QIDQ4953479zbMATH OpenOpenAlexFDO

Authors Guntram Rauhut, Frank Eckert

Publication date 25 July 2000

Published in High Performance Computing in Science and Engineering ’99 (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-642-59686-5_16

zbMATH Keywords

benzofuroxansBoulton-Katritzky rearrangementring chain tautomerism

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Biophysics (92C05) Classical flows, reactions, etc. in chemistry (92E20)

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