The Structure and Chemical Bond of FOX-7: The AIM Analysis and Vibrational Normal Modes

The Structure and Chemical Bond of FOX-7: The AIM Analysis and Vibrational Normal Modes

FOX-7 (1,1-diamino-2,2-dinitroethylene) recently is expected as a relatively new energetic material with high-performance and low sensitivity. The RHF and MP2 levels and DFT method with B3LYP functional with aug-cc-pVDZ basis set have been used for obtaining equilibrium geometry and Rho function (el...

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Bibliographic Details
Main Authors:	Jamshid Najafpour, Narges Zohari
Format:	Article
Language:	English
Published:	Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR 2011-09-01
Series:	Iranian Journal of Chemistry & Chemical Engineering
Subjects:	-7, qtaim molecular graph chemical bond vibrational normal mode
Online Access:	http://www.ijcce.ac.ir/article_6244_1ee4afc082ad8443511903b208f272b2.pdf

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