Quantum Chemical Studies on C4H4N2 Isomeric Molecular Species

Quantum chemical calculations have been carried out on C4H4N2 isomeric molecular species using the G4 method and compared with experimental values were available, probing parameters like thermochemistry, structural parameters (e.g. Bond length, bond angles), rotational constants, vibrational spectr...

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Autores principales: E. E Etim, M. E Khan, O. E Godwin, G. O Ogofotha
Formato: article
Lenguaje:EN
Publicado: Nigerian Society of Physical Sciences 2021
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Acceso en línea:https://doaj.org/article/dbdeb7067edc4125b9b102c73b169f5a
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