Communications: Making density functional theory and the quantum theory of atoms in molecules converse: A local approach

Journal of Chemical Physics

Volumn 132, Issue 21, 2010, Pages

  Tognetti, Vincent ^a,c   Joubert, Laurent ^b   Adamo, Carlo ^a  

^a CNRS   (France)

^b UNIVERSITÉ DE ROUEN   (France)

^c UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AGOSTIC BONDS; ATOMS IN MOLECULES; BOND CRITICAL POINTS; CHEMICAL INTERACTIONS; DESCRIPTORS; EXCHANGE CORRELATION ENERGY; LOCAL APPROACHES; QUANTUM THEORY OF ATOMS IN MOLECULES; SECOND-ORDER REDUCED DENSITY;

ATOMS; EQUATIONS OF STATE; HYDROGEN BONDS; MOLECULES; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

FORMIC ACID; FORMIC ACID DERIVATIVE; HYDROCHLORIC ACID; HYDROGEN; ORGANOMETALLIC COMPOUND; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY;

FORMIC ACIDS; HYDROCHLORIC ACID; HYDROGEN; HYDROGEN BONDING; MODELS, CHEMICAL; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; WATER;

EID: 77953584646     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3426312     Document Type: Article

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