Open AccessDevelopment of Predictive QSPR Model of the First Reduction Potential from a Series of Tetracyanoquinodimethane (TCNQ) Molecules by the DFT (Density Functional Theory) Method
Author(s) -
Fatogoma Diarrassouba,
Malik Koné,
Kafoumba Bamba,
Yafigui Traoré,
Mamadou Guy-Richard Koné,
Edja Florentin Assanvo
Publication year - 2019
Publication title -
computational chemistry
Language(s) - English
Resource type - Journals
eISSN - 2332-5984
pISSN - 2332-5968
DOI - 10.4236/cc.2019.74009
Subject(s) - tetracyanoquinodimethane , quantitative structure–activity relationship , applicability domain , molecule , molecular descriptor , density functional theory , reduction (mathematics) , test set , computational chemistry , series (stratigraphy) , chemistry , set (abstract data type) , mathematics , biological system , computer science , statistics , stereochemistry , organic chemistry , paleontology , geometry , biology , programming language