Theoretical Study of Thermal Cracking For Acenaphthylene Molecule

Theoretical Study of Thermal Cracking For Acenaphthylene Molecule

Density Functional Theory (DFT) calculations were carried out to study the thermal cracking for acenaphthylene molecule to estimate the bond energies for breaking C8b-C5a , C5a-C5 , C5-C4 , and C5-H5 bonds as well as the activation energies. It was found that for C8b-C5a , C5-C4 , and C5-H5 reactio...

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Bibliographic Details
Main Author:	Baghdad Science Journal
Format:	Article
Language:	Arabic
Published:	College of Science for Women, University of Baghdad 2013-09-01
Series:	Baghdad Science Journal
Subjects:	C-H rupture and C-C rupture , DFT calculations, thermal cracking , acenaphthylene
Online Access:	http://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/2619

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