Density functional study on the reaction mechanism of proton transfer in 2-pyridone: Effect of hydration and self-association

Journal of Physical Chemistry A

Volumn 109, Issue 7, 2005, Pages 1468-1477

  Fu, Aiping ^a   Li, Hongliang ^b   Du, Dongmei ^a   Zhou, Zhengyu ^a,c  

^a QUFU NORMAL UNIVERSITY   (China)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^c SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; HYDRATION; IONIZATION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; REACTION KINETICS; X RAY PHOTOELECTRON SPECTROSCOPY;

POLARIZATION CONTINUUM MODEL (PCM); PROTON TRANSFER; SELF ASSOCIATION; TAUTOMERIZATION;

DIMERS;

EID: 84962463321     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0453764     Document Type: Article

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