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QUANTUM CHEMICAL CALCULATIONS OF SOME BENZENE DERIVATIVES

HOMO-LUMO energies, hardness, Mulliken, electronic and zero-point energy, Mulliken charges of benzene, fluorobenzene, chlorobenzene, bromobenzene, nitrobenzene, cyanobenzene, trifluoromethyl benzene, ethenylbenzene, di, tri, tetra and penta fluorobenzene molecules in gas phase and water phase for ne...

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Autores principales: Fatma Kandemirli, Fatma Genç
Formato: Artigo
Lenguaje:Inglês
Publicado: Amasya University 2020-12-01
Colección:Journal of Amasya University the Institute of Sciences and Technology
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Acceso en línea:https://dergipark.org.tr/en/download/article-file/1456957
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