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Journal of Computational Chemistry

Volumn 23, Issue 12, 2002, Pages 1198-1209

Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density

(5) De Proft, F a Van Alsenoy, C b Peeters, A b Langenaeker, W c Geerlings, P a

a VRIJE UNIVERSITEIT BRUSSEL (Belgium)

b UNIVERSITY OF ANTWERP (Belgium)

c JANSSEN RESEARCH FOUNDATION (Belgium)

Author keywords

Atomic dipole moments; Atoms in molecules; Fukui functions; Hirshfeld charges; Hirshfeld partitioning

Indexed keywords

ATOMIC PHYSICS; CALCULATIONS; CHEMICAL BONDS; FUNCTIONS; MATHEMATICAL MODELS; MOLECULAR PHYSICS; ORGANIC COMPOUNDS; VECTORS;

ATOM DENSITY; ATOMIC CHARGES; BOND POLARITIES; DIPOLE MOMENTS; FUKUI FUNCTIONS; HIRSHFELD PARTITIONING; POPULATION ANALYSIS;

ELECTRONIC DENSITY OF STATES;

EID: 0036722810 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/jcc.10067 Document Type: Article

Times cited : (248)

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