Open AccessDFT and PM3 Computational Studies of the Reaction Mechanism of the Oxidation of L-Tyrosine by Iodine in the Gas Phase
Author(s) -
Gideon Adamu Shallangwa,
Adamu Uzairu,
V.O. Ajibola,
Hamza Abba
Publication year - 2014
Publication title -
aceh international journal of science and technology/aceh international journal of science and technology
Language(s) - English
Resource type - Journals
eISSN - 2503-2348
pISSN - 2088-9860
DOI - 10.13170/aijst.0302.06
Subject(s) - density functional theory , exergonic reaction , chemistry , transition state , reaction mechanism , computational chemistry , iodine , standard enthalpy of formation , gas phase , thermodynamics , organic chemistry , catalysis , physics