Electrostatic properties of small molecules by means of atomic multipoles from the quantum theory of atoms in molecules

International Journal of Quantum Chemistry

Volumn 108, Issue 13, 2008, Pages 2417-2427

  Rodrigues, Eduardo F F ^a   De Sá , Eduardo L ^a   Haiduke, Roberto L A ^a  

^a FEDERAL UNIVERSITY OF PARANÁ   (Brazil)

Author keywords

CHELPG; Electrostatic potentials; Force fields; Polarization; QTAIM

Indexed keywords

ATOMIC PHYSICS; ELECTROSTATICS; MOLECULES; QUANTUM THEORY;

CHELPG; ELECTROSTATIC POTENTIALS; ELECTROSTATIC PROPERTIES; FORCE FIELDS; LINEAR MOLECULES; MULTIPOLES; POLARIZATION; QTAIM; QUADRUPOLES; QUANTUM THEORY OF ATOMS IN MOLECULES; SMALL MOLECULES;

ATOMS;

EID: 52449112655     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21766     Document Type: Conference Paper

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