DFT study of five-membered ring PAHs
Author:
Funder
ISRO
DST EMR
DST JSPS
Publisher
Elsevier BV
Subject
Space and Planetary Science,Astronomy and Astrophysics
Reference32 articles.
1. The calculation of accurate harmonic frequencies of large molecules: the polycyclic aromatic hydrocarbons, a case study;Bauschlicher;Spectrochim. Acta Mol. Spectros,1997
2. Infrared spectra of perdeuterated naphthalene, phenanthrene, chrysene, and pyrene;Bauschlicher;J. Phys. Chem.,1997
3. Formation of buckminsterfullerene (C60) in interstellar space;Berné;Proc. Natl. Acad. Sci. Unit. States Am.,2012
4. Interstellar dehydrogenated PAH anions: vibrational spectra;Buragohain;MNRAS,2018
5. Theoretical study of deuteronated PAHs as carriers for IR emission features in the ISM;Buragohain;MNRAS,2015
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