Beyond 7-azaindole: Conjugation effects on intermolecular double hydrogen-atom transfer reactions

Journal of Physical Chemistry A

Volumn 113, Issue 17, 2009, Pages 4862-4867

  Baiz, Carlos R ^a   Ledford, Sarah J ^a   Kubarych, Kevin J ^a   Dunietz, Barry D ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

7-AZAINDOLE; AB INITIO; CONJUGATION EFFECTS; DELOCALIZATION; ENERGY DIFFERENCES; EXTENDED CONJUGATION; HYDROGEN-ATOM TRANSFER; LOW ENERGIES; REACTION CENTER; RELATIVE ENERGIES;

ATOMS; ELECTRONIC STRUCTURE; NITROGEN COMPOUNDS;

HYDROGEN;

7 AZAINDOLE DIMER; 7-AZAINDOLE DIMER; HYDROGEN; INDOLE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROGEN; HYDROGEN BONDING; INDOLES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTUM THEORY; THERMODYNAMICS;

EID: 65649094073     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8098472     Document Type: Article

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