Valence Topological Charge-Transfer Indices for Reflecting Polarity: Correction for Heteromolecules

Valence Topological Charge-Transfer Indices for Reflecting Polarity: Correction for Heteromolecules

Valence topological charge-transfer (CT) indices are applied to the calculationof dipole moments μ. The μ calculated by algebraic and vector semisums of the CTindices are defined. The model is generalized for molecules with heteroatoms andcorrected for sp3-heteromolecules. The ability of the i...

Full description

Bibliographic Details
Main Author: F. Torrens
Format: Article
Language:English
Published: MDPI AG 2005-02-01
Series:Molecules
Subjects:
Charge distribution
Dipole moment
Heteroatom
Isolelectroic series
Valence topological charge-transfer index
Online Access:http://www.mdpi.com/1420-3049/10/2/334/

Internet

http://www.mdpi.com/1420-3049/10/2/334/

Similar Items