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Journal of Molecular Structure: THEOCHEM

Volumn 592, Issue 1-3, 2002, Pages 105-113

The mechanism of the radical-anion reduction of 2,4,6-trinitrotoluene: A theoretical insight

(2) Huang, Ming Ju a Leszczynski, Jerzy a

a JACKSON STATE UNIVERSITY (United States)

Author keywords

2,4,6 Trinitrotoluene; Density functional theory; MP2; Phytoremediation; Reduction

Indexed keywords

ANION; RADICAL; TRINITROTOLUENE;

AB INITIO CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; GEOMETRY; PHYTOREMEDIATION; PLANT; QUANTUM THEORY; SOIL POLLUTION;

EID: 84962409345 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00231-2 Document Type: Conference Paper

Times cited : (16)

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