Theoretical analysis of pyridine protonation in water clusters of increasing size

ChemPhysChem

Volumn 6, Issue 1, 2005, Pages 139-147

  Sicilia, M Carmen ^a   Muñoz Caro, Camelia ^a   Niño, Alfonso ^a  

^a UNIVERSITY OF CASTILLA LA MANCHA   (Spain)

Author keywords

Density functional calculations hydrogen bonds; Nitrogen heterocycles; Protonation; Water chemistry

Indexed keywords

ATOMS; CALCULATIONS; MOLECULES; PROTONATION; PYRIDINE; SIMULATED ANNEALING;

ATOMS IN MOLECULES; COVALENT CHARACTER; ENERGETIC PROPERTIES; NITROGEN HETEROCYCLES; PYRIDINE PROTONATION; PYRIDINE-NITROGEN ATOM; WATER CHEMISTRY; ZERO-POINT ENERGIES;

HYDROGEN BONDS;

PROTON; PYRIDINE DERIVATIVE; WATER;

ARTICLE; COMPLEX FORMATION; MOLECULAR STABILITY; PROTON TRANSPORT; REACTION ANALYSIS; SYNTHESIS;

EID: 13444257402     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400344     Document Type: Article

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