Semiempirical quantum chemical PM3 computations and evaluations of redox potentials, basicities, and dipole moments of the diphenylamine series as analytical reagents

Canadian Journal of Chemistry

Volumn 77, Issue 12, 1999, Pages 2053-2058

  Pankratov, Alexei N ^a   Shchavlev, Andrew E ^a  

^a SARATOV STATE UNIVERSITY   (Russian Federation)

Author keywords

Diphenylamine series; Dipole moment; pK(a); Redox potential; Semiempirical quantum chemical evaluation

Indexed keywords

DIPHENYLAMINE DERIVATIVE; REAGENT;

BINDING AFFINITY; CHEMICAL REACTION KINETICS; CONFERENCE PAPER; DIPOLE; DISSOCIATION; IONIZATION; MATHEMATICAL COMPUTING; OXIDATION REDUCTION REACTION; QUANTUM CHEMISTRY;

EID: 0033384332     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v99-206     Document Type: Conference Paper

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