Our work consisted of a theoretical study of the charge transfer of five Tetrathiafulvalene- Tetracyanoquinodimethane (TTF-TCNQ) complexes. Global reactivity and charge transfer descriptors were determined at theory level B3LYP/6-311G (d,p). These descriptors revealed that the Te...
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Research Article10.9734/irjpac/2021/v22i1030440
Lamoussa Ouattara, Kafoumba Bamba, Mamadou Guy-Richard Koné, Jean Stéphane N’dri, Kouakou Nobel N’Guessan, Ouattara Pierrre Massapihanhoro & Diarrassouba Fatogoman·Chemical Science International Journal·2019
We focused on a series of coumarin derivatives in this work. The method of Density Functional Theory (DFT) of quantum chemistry has been used at B3LYP / 6-31G (d, p) level in order to identify molecular descriptors which are useful for this study. The analysis of the statistical...
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Research Article10.9734/CSJI/2019/v26i430098
In this work, it was a question of carrying out a theoretical study of the global reactivity and a characterization of the preferential sites of reactivity of eight (08) derivatives of Tetracyanoquinodimethane (TCNQ). It emerges from this study that the oxidizing power of the eig...
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Research Article10.9734/CSJI/2024/v33i3893
Jean Missa Ehouman, Dembélé Georges Stéphane, Nobel Kouakou N’guessan, Sopi Thomas Affi, Kafoumba Bamba & Nahossé Ziao·Asian Journal of Chemical Sciences·2025
The soap and cosmetics industries generate liquid waste laden with anionic surfactants, which pose a significant risk to the environment and aquatic biodiversity if their concentration is not controlled. Analyzing these harmful organic pollutants requires sophisticated equipment...
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Research Article10.9734/ajocs/2025/v15i6401
Malaria remains a public health problem requiring pharmacological innovation in antimalarial drugs. Therefore, their study is of great interest in providing a rapid and less costly route to the development of new, more effective antimalarial drugs. The molecular dipole moment and...
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Research Article10.9734/irjpac/2025/v26i6961
N’guessan Kouakou Nobel, Niamké Jean Baptiste Kangah, Ehouman Jean Missa, Dembélé Georges Stéphane, Ouattara Wawohinlin Patrice, Kafoumba Bamba & Nahossé Ziao·Chemical Science International Journal·2025
The anarchic proliferation of cells in all types of organs in the human body leads to tumours called cancer. Chemotherapy remains an alternative treatment. Transition metal-based agents such as cisplatin have been shown to be effective. However, their use is hampered by unwanted...
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Research Article10.9734/CSJI/2025/v34i2958