Non-covalent interactions - QTAIM and NBO analysis

Journal of Molecular Modeling

Volumn 19, Issue 11, 2013, Pages 4713-4721

  Grabowski, Sławomir J ^a,b  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

Bent's rule; Dihydrogen bond; Halogen bond; Hydride bond; Hydrogen bond; Natural bond orbitals method; Non covalent interaction; Quantum theory of 'atoms in molecules' (QTAIM); The Lewis acid Lewis base interaction

Indexed keywords

HALOGEN; HYDROGEN; LEWIS ACID; LEWIS BASE;

ARTICLE; ATOM; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL INTERACTION; COMPLEX FORMATION; CORRELATION ANALYSIS; DIHYDROGEN BOND; ELECTRON; ENERGY TRANSFER; GEOMETRY; HALOGEN BOND; HYBRID; HYDRIDE BOND; HYDROGEN BOND; NATURAL BOND ORBITAL THEORY; PRIORITY JOURNAL; QUANTUM THEORY OF ATOMS IN MOLECULE; SURFACE CHARGE;

EID: 84888288109     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1463-7     Document Type: Article

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