The role of the frontier orbitals in acid-base chemistry of organic amines probed by ab initio and chemometric techniques

International Journal of Quantum Chemistry

Volumn 110, Issue 11, 2010, Pages 2015-2023

  La Porta, Felipe A ^a   Santiago, Regis T ^a   Ramalho, Teodorico C ^a   Freitas, Matheus P ^a   Da Cunha, Elaine F F ^a  

^a FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

Author keywords

Amines; FERMO; Molecular orbital; PKb

Indexed keywords

AMINES; BOND STRENGTH (CHEMICAL); MOLECULAR MODELING; MOLECULAR ORBITALS;

AB INITIO; ACID-BASE BEHAVIOR; ACID-BASE CHEMISTRY; CALCULATION METHODS; CHEMOMETRICES; CONJUGATED ACIDS; FERMO; FRONTIER ORBITALS; ORGANIC AMINE; THEORETICAL CALCULATIONS;

HYDROFLUORIC ACID;

EID: 84961983580     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22676     Document Type: Conference Paper

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