Density Functional Theory Studies of Tetrathiafulvalene Compounds and Their Redox Isomers
<p id="p1">We performed density functional theory (DFT) calculations to analyze the geometrical and electronic properties of eight differently substituted tetrathiafulvalene (TTF) units (some with two Se heteroatoms) with 0, +1 and +2 charges. We demonstrate that, by minor deformations from pla...
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| Autores principales: | , |
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| Formato: | Capítulo de libro |
| Lenguaje: | inglés |
| Publicado: |
IntechOpen
2024
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| Materias: | |
| Acceso en línea: | https://www.intechopen.com/chapters/1154777 |
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