Theoretical Study of Benzylic Oxidation and Effect of Para- Substituents by  Using Hyperchem Program

Please use this identifier to cite or link to this item: http://localhost:8080/xmlui/handle/123456789/3916

Full metadata record

DC Field	Value	Language
dc.contributor.author	Ezzat, Mohammed Oday	-
dc.contributor.author	AL- Obaidi, Omar Hamad Shehab	-
dc.contributor.author	Mordi, Mohd N.	-
dc.date.accessioned	2022-10-20T13:10:38Z	-
dc.date.available	2022-10-20T13:10:38Z	-
dc.date.issued	2011	-
dc.identifier.issn	0974-276X	-
dc.identifier.uri	http://localhost:8080/xmlui/handle/123456789/3916	-
dc.description.abstract	In this work, study of benzylic oxocations and effect of para-substituents on the original compound has been done by using HyperChem8.0 Program. A theoretical treatment of the formation of compounds was studied; this was done using the HyperChem8.0 program for the Molecular mechanics and Semi-empirical calculations. The heat of formation (Δ H) and Conformational Energetic in (kcal/mol) for the compounds were calculated by (PM3 and AM1) method, at (298 K) .Furthermore, the conclusion by investigating the stabilities of similar cations using a computational chemistry that called an isodesmic equation.	en_US
dc.language.iso	en	en_US
dc.publisher	Journal of Proteomics & Bioinformatics	en_US
dc.subject	Thermochemistry; Isodesmic equation; Relative Stabilization Energy; Heat of formation	en_US
dc.title	Theoretical Study of Benzylic Oxidation and Effect of Para- Substituents by Using Hyperchem Program	en_US
dc.type	Article	en_US
Appears in Collections:	قسم الكيمياء

Files in This Item:

File	Description	Size	Format
Theoretical Study of Benzylic Oxidation and Effect of para- substituents by using Hyperchem program.pdf		1.97 MB	Adobe PDF	View/Open