Molecular structure, UV–Visible spectra and other molecular properties of (E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazinecarbothioamide and its n-methyl variant by using DFT methods

Molecular structure, UV–Visible spectra and other molecular properties of (E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazinecarbothioamide and its n-methyl variant by using DFT methods

The primary aim of the present work is to make a theoretical evaluation of electronic structure for 2-(2-hydroxy-5-methoxybenzylidene)hydrazinecarbothioamide (HMHC) and 2-(2-hydroxy-5methoxybenzylidene)-N-methylhydrazinecarbothioamide (HMNHC). Subsequently, we also aim to compute molecular electroni...

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Bibliographic Details
Main Authors: K. Srishailam, L. Ravindranath, Gaddam. Ramesh, D. Praveena, Sunil kumar V, Danikonda.Suresh Kumar, S. Muthu, G.Ramana Rao
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Results in Chemistry
Subjects:
DFT
FMO
NBO
NLO
Thiosemicarbazones
UV–Visible spectra
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625000098
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