Substituent effect on N - H bond dissociation enthalpies of amines and amides: A theoretical study

International Journal of Quantum Chemistry

Volumn 109, Issue 3, 2009, Pages 559-568

  Kaur, Damanjit ^a   Kaur, Rupinder Preet ^a   Kohli, Ruchi ^a  

^a GURU NANAK DEV UNIVERSITY   (India)

Author keywords

Molecule stabilization effect; Radical stabilization effect; Spin delocalization; Substituent effect

Indexed keywords

AMIDES; AMINES; CHEMICAL BONDS; DISSOCIATION; ENTHALPY; FLOW INTERACTIONS; HYDROGEN; HYDROGEN BONDS; MOLECULES; ORGANIC COMPOUNDS; REACTION KINETICS; SPIN DYNAMICS;

AB INITIO; ELECTROSTATIC INTERACTIONS; FUNCTIONAL METHODS; H BONDS; HYDROGEN BONDINGS; ISODESMIC REACTIONS; LONE PAIRS; ORBITAL INTERACTIONS; RADICAL STABILIZATION EFFECT; SPIN DELOCALIZATION; SUBSTITUENT EFFECT;

STABILIZATION;

EID: 58149216127     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21824     Document Type: Article

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