Theoretical Studies on the Synthetic Pathways of Monoallene

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DC Field	Value	Language
dc.contributor.author	Shafawati, S.M.T.	-
dc.date.accessioned	2017-04-03T04:11:49Z	-
dc.date.available	2017-04-03T04:11:49Z	-
dc.date.issued	2016	-
dc.identifier.issn	0973-1792	-
dc.identifier.uri	http://hdl.handle.net/123456789/5172	-
dc.description.abstract	All the intermediates of the formation of 3-(3-hydroxyprop-1-ynyl)-5,5- dimethyl-2-(3-(phenylsulfonyl)penta-3 ,4-dienyl)cyclohex-2-enone were studied by DFT method. All the possible intermediates were optimized to the minimum potential energy using Gaussian 09 software package at the theoretical level of density functional theory (DFT) using B3LYP/6-31 G(d,p).	en_US
dc.language.iso	en	en_US
dc.publisher	International Journal of Applied Chemistry	en_US
dc.subject	KuBulat, K.	en_US
dc.subject	Inagaki, F.	en_US
dc.subject	Mukai, C.	en_US
dc.subject	Monoallene	en_US
dc.subject	Total e lectronic energy	en_US
dc.subject	Dipole moment	en_US
dc.subject	Density functional theory	en_US
dc.title	Theoretical Studies on the Synthetic Pathways of Monoallene	en_US
dc.type	Article	en_US
Appears in Collections:	Journal Articles

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