A theoretical study on the gas-phase protonation of pyridine and phosphinine derivatives

Journal of Molecular Modeling

Volumn 19, Issue 9, 2013, Pages 4049-4058

  Zielinski, François ^a   Tognetti, Vincent ^a   Joubert, Laurent ^a  

^a NORMANDIE UNIVERSITÉ   (France)

Author keywords

Conceptual density functional theory; Gas phase acid base reactions; Phosphinine derivatives; Pyridine derivatives; Quantum theory of atoms in molecules

Indexed keywords

HYDROGEN; NITROGEN; PHOSPHININE DERIVATIVE; PHOSPHORUS; PROTON; PYRIDINE; UNCLASSIFIED DRUG;

ACID BASE BALANCE; ARTICLE; ATOM; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; GAS; GEOMETRY; HYDROGEN BOND; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM THEORY; THEORETICAL STUDY;

EID: 84882895428     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1925-6     Document Type: Article

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