Computational study on molecular structure, vibrational and electronic properties of a novel Schiff base: Benzyl2-(4-(bis(2-chloroethyl)benzylidene) hydrazinecarbodithioate

The present study reports a novel Schiff base ‘Benzyl2-(4-(bis(2 chloroethyl)amino)benzylidene)hydrazinecarbodithioate’ and its characterization by infra red (IR), nuclear magnetic resonance (NMR), mass spectral methods with its density functional theory (DFT) quantum chemical studies. Tautomerism...

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Principais autores:	Bhuvanendra Singh, Rajeev Singh, Bhoop Singh, Dilip Kumar
Format:	Artigo
Jezik:	Inglês
Izdano:	Elsevier 2017-11-01
Serija:	Kuwait Journal of Science
Teme:	DFT electron localization function HOMO-LUMO MESP quantum chemical calculations.
Online dostop:	https://journalskuwait.org/kjs/index.php/KJS/article/view/2472
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