Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge

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DC Field	Value	Language
dc.contributor.author	Roy, Ram Kinkar	-
dc.date.accessioned	2021-10-12T11:37:58Z	-
dc.date.available	2021-10-12T11:37:58Z	-
dc.date.issued	2001-08-06	-
dc.identifier.uri	https://aip.scitation.org/doi/10.1063/1.1386699	-
dc.identifier.uri	http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/2752	-
dc.description.abstract	A thorough study on the nature of Mulliken population analysis (MPA) based condensed Fukui function (FF) indices has been performed. It is claimed analytically that nothing can be predicted about the sign of condensed FF indices, even when evaluated by using very small fractional molecular charge (i.e., approximately following the analytical definition of FF indices). The corresponding numerical demonstrations on different chemical systems confirm our claim.	en_US
dc.language.iso	en	en_US
dc.publisher	AIP	en_US
dc.subject	Chemistry	en_US
dc.subject	Mulliken population	en_US
dc.subject	Fukui function	en_US
dc.subject	Molecular charge	en_US
dc.title	Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge	en_US
dc.type	Article	en_US
Appears in Collections:	Department of Chemistry

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