Energy partitioning scheme based on self-consistent method for subsystems: Populational space approach

Journal of Computational Chemistry

Volumn 32, Issue 6, 2011, Pages 1054-1064

  De Silva, Piotr ^a   Korchowiec, Jacek ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

energy partitioning schemes; molecular interactions; population space analysis; projected Fock operator approach; self consistent method of subsystems

Indexed keywords

AMMONIA BORANE; CHEMICAL VALENCE; ENERGY PARTITIONING SCHEMES; FOCK OPERATORS; NATURAL ORBITALS; POPULATION SPACE ANALYSIS; SELF-CONSISTENT CHARGES; SELF-CONSISTENT METHOD; SELF-CONSISTENT METHOD OF SUBSYSTEMS; WATER DIMERS;

ACTIVE NETWORKS; CHARGE TRANSFER; ION EXCHANGE; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE;

DIMERS;

AMMONIA; BORANE DERIVATIVE; WATER;

ARTICLE; CHEMISTRY; DIMERIZATION; QUANTUM THEORY;

AMMONIA; BORANES; DIMERIZATION; QUANTUM THEORY; WATER;

EID: 79952493573     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21685     Document Type: Article

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