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Theoretical screening of N-[5′-methyl-3′-isoxasolyl]-N-[(E)-1-(-2-thiophene)] methylidene]amine and its isoxazole based derivatives as donor materials for bulk heterojunction organic solar cells: DFT and TD-DFT investigation

by Tendongmo, Hilaire, Kogge, Bine Fritzgerald, Tamafo Fouegue, Aymard Didier, Tasheh, Stanley Numbonui, Tessa, Charles Bernard Nwamba, Ghogomu, Julius Numbonui
Published in Journal of molecular modeling (01.06.2024)

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DFT investigation on the effect of the permutation of some electron donating and accepting groups in the charge transfer process within 2-((E)-[2-hydroxyphenyl)imino] methyl)phenol

by Nwamba Tessa, Charles Bernard, Tamafo Fouegue, Aymard Didier, Nono, Jean Hubert, Bine, Fritzgerald Kogge, Ghogomu, Julius Numbonui
Published in Theoretical chemistry accounts (2022)

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Journal Article

Theoretical screening of N-[5′-methyl-3′-isoxasolyl]-N-[(E)-1-(-2-thiophene)] methylidene]amine and its isoxazole based derivatives as donor materials for bulk heterojunction organic solar cells: DFT and TD-DFT investigation

DFT investigation on the effect of the permutation of some electron donating and accepting groups in the charge transfer process within 2-((E)-[2-hydroxyphenyl)imino] methyl)phenol

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