Topological properties of some PhSeX compounds

A theoretical study on the series of compounds "PhSeX", where Ph=phenyl, Se=selenium and X=Cl, Br, I, CN or SCN, is reported and compared with previously reported experimental data. The molecular geometry for these PhSeX compounds was studied at the DFT/B3LYP level of calculation by means...

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Detalles Bibliográficos
Autores principales:	Okulik, N.B., Jubert, A.H., Castro, E.A.
Formato:	JOUR
Materias:	DFT PhSeX Pseudohalogen Selenium Topological study bromine chloride iodine phenyl group selenium article chemical bond chemical structure geometry priority journal solid state theoretical study Halogens Models, Theoretical Molecular Structure Organoselenium Compounds Phenols
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_16102940_v18_n3_p913_Okulik
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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