Toward a compact description of molecular electron densities

International Journal of Quantum Chemistry

Volumn 98, Issue 1, 2004, Pages 1-10

  Chodkiewicz, Michał L ^a   Howard, Siân T ^b   Woźniak, Krzysztof ^a  

^a UNIVERSITY OF WARSAW   (Poland)

^b CARDIFF UNIVERSITY   (United Kingdom)

Author keywords

Density matrix; Electron density; Molecular fragments; Substituent effect

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; COMPUTATION THEORY; FOURIER TRANSFORMS; PRINCIPAL COMPONENT ANALYSIS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

COMPUTATIONAL CHEMISTRY; DENSITY MATRIX; MOLECULAR FRAGMENTS; SUBSTITUENT EFFECTS;

MOLECULAR STRUCTURE;

EID: 2342580771     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20002     Document Type: Article

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