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Quantum-Chemical and Quantum-Graph Models of the Dynamical Structure of CH

Authors :
Irén, Simkó
Csaba, Fábri
Attila G, Császár
Source :
Journal of chemical theory and computation.
Publication Year :
2022

Abstract

Experimental and computational results about the structure, dynamics, and rovibrational spectra of protonated methane have challenged a considerable number of traditional chemical concepts. Hereby theoretical and computational results are provided about the dynamical structure of CH

Details

ISSN :
15499626
Database :
OpenAIRE
Journal :
Journal of chemical theory and computation
Accession number :
edsair.pmid..........b6493eb4618d957c549a31c04de7ea6a