Joint QTAIM and Hirshfeld study of the σ and π charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance model

Mandado, Marcos; Van Alsenoy, Christian; Mosquera, Ricardo A.

doi:10.1021/JP051953S

Title

Joint QTAIM and Hirshfeld study of the σ and π charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance model

Author

Mandado, Marcos

Van Alsenoy, Christian

Mosquera, Ricardo A.

Language

English

Source (journal)

The journal of physical chemistry : A : molecules, spectroscopy, kinetics, environment and general theory. - Washington, D.C., 1997, currens

Publication

Washington, D.C. : 2005

ISSN

1089-5639 [print]

1520-5215 [online]

DOI

10.1021/JP051953S

Volume/pages

109 :38 (2005) , p. 8624-8631

ISI

000232121300024

Full text (Publisher's DOI)

https://doi.org/10.1021/JP051953S

Faculty/Department				Faculty of Sciences. Chemistry

Research group
Publication type				A1 Journal article

Affiliation				Publications with a UAntwerp address

Web of Science

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Identifier

Creation

08.10.2008

Last edited

30.12.2021

To cite this reference

https://hdl.handle.net/10067/590670151162165141