Energy decomposition analysis of covalent bonds and intermolecular interactions

Journal of Chemical Physics

Volumn 131, Issue 1, 2009, Pages

  Su, Peifeng ^a   Li, Hui ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; CLOSED SHELLS; COORDINATE BONDS; COUPLED-CLUSTER METHODS; COVALENT BOND FORMATION; DENSITY FUNCTIONAL; DISPERSION ENERGIES; DNA BASE PAIRS; ENERGY DECOMPOSITION ANALYSIS; HARTREE-FOCK; HYDROGEN BONDINGS; HYDROGEN FLUORIDE; INTERMOLECULAR INTERACTIONS; INTERNAL ROTATION BARRIER; IONIC INTERACTION; LIGAND INTERACTIONS; OPEN-SHELL; PLESSET PERTURBATION THEORY; SECOND ORDERS; SUPER MOLECULES; TOTAL INTERACTION ENERGY; VAN DER WAALS INTERACTIONS;

AMMONIUM COMPOUNDS; CARBON MONOXIDE; COVALENT BONDS; ELECTROSTATICS; ETHANE; HYDROGEN; HYDROGEN BONDS; IONIZATION OF LIQUIDS; METHANE; NUCLEIC ACIDS; PERTURBATION TECHNIQUES; POLARIZATION; SODIUM CHLORIDE; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 67650463388     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3159673     Document Type: Article

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