Energy Landscape and Structural and Spectroscopic Characterization of Diazirine and Its Cyclic Isomers

Autor:	Partha P. Bera, Kendra K. Noneman, Timothy J. Lee
Rok vydání:	2022
Předmět:	Physical and Theoretical Chemistry
Zdroj:	The journal of physical chemistry. A.
ISSN:	1520-5215
Popis:	Identifying new nitrogenated hydrocarbon molecules in the interstellar medium (ISM) is challenging because of the lack of comprehensive spectroscopic data from experiments. In this computational work, we focus on investigating the structures, relative energies, spectroscopic constants, and energy landscape of the cyclic isomers of diazirine (c-CH
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f115bfd3998f94f6e10ddb5af193bad https://pubmed.ncbi.nlm.nih.gov/35853204 Zobrazit plný text záznamu