DFT simulation of barrier heights, infrared and Raman spectra, and investigation of vibrational characteristics of 2-((2-aminopyridin-3-yl) methylene) hydrazinecarbothioamide and its <i>N</i>-methyl variant-Reference-Cited by-同舟云学术

DFT simulation of barrier heights, infrared and Raman spectra, and investigation of vibrational characteristics of 2-((2-aminopyridin-3-yl) methylene) hydrazinecarbothioamide and its N-methyl variant

Published:2022-06-13 Issue:15 Volume:48 Page:1315-1329
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Srishailam K.¹²³,Ramaiah K.⁴⁵,Laxma Reddy K.⁵,Venkatram Reddy B.³^ORCID,Ramana Rao G.³

Affiliation:

1. Department of Physics, SR University, Warangal, India

2. Department of Physics, S R Engineering College, Warangal, India

3. Department of Physics, Kakatiya University, Warangal, India

4. Chemistry Division, H&S Department, CVR College of Engineering, Hyderabad, India

5. Department of Chemistry, National Institute of Technology, Warangal, India

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2022.2086277

Reference56 articles.

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4. Design, synthesis and characterization of novel 2-(2,4-disubstituted-thiazole-5-yl)-3-aryl-3H-quinazoline-4-one derivatives as inhibitors of NF-κB and AP-1 mediated transcription activation and as potential anti-inflammatory agents

5. Synthesis, characterization, optical band gap, in vitro antimicrobial activity and DNA cleavage studies of some metal complexes of pyridyl thiosemicarbazone

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