Geometries-DTP
<ul>Data employed to obtain the results contained in the manuscript "Antiaromatic non-alternant heterocyclic compounds as molecular wires".</ul> <ul>The methodology applied is a combination of DFT and Green´s functon techniques. </ul>
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| Tipo de recurso: | conjunto de datos |
| Estado: | Versión publicada |
| Fecha de publicación: | 2024 |
| País: | España |
| Institución: | Consorcio Madroño |
| Repositorio: | e-cienciaDatos, Repositorio de Datos del Consorcio Madroño |
| OAI Identifier: | doi:10.21950/BLB9NR |
| Acceso en línea: | https://doi.org/10.21950/BLB9NR |
| Access Level: | acceso abierto |
| Palabra clave: | Chemistry DFT NEGF Antiaromaticity Quantum Interference |
| Sumario: | <ul>Data employed to obtain the results contained in the manuscript "Antiaromatic non-alternant heterocyclic compounds as molecular wires".</ul> <ul>The methodology applied is a combination of DFT and Green´s functon techniques. </ul> |
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