Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies-Reference-Cited by-同舟云学术

Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies

Published:2022-11-12 Issue: Volume: Page:1-25
ISSN:1040-6638
Container-title:Polycyclic Aromatic Compounds
language:en
Short-container-title:Polycyclic Aromatic Compounds

Author:

Garima Km.¹²,Fatima Aysha³,Pooja Km.¹,Savita Sandhya¹,Sharma Manoj¹,Kumar Mohit¹,Muthu S.⁴,Siddiqui Nazia⁵,Javed Saleem²^ORCID

Affiliation:

1. Department of Chemistry, Dr. Bhimrao Ambedkar University, Agra, India

2. Department of Chemistry, University of Allahabad, Prayagraj, India

3. School of Studies in Chemistry, Jiwaji University, Gwalior, India

4. Department of Physics, Arignar Anna Government Arts College, Cheyyar, India

5. Department of Chemistry, Dayalbagh Educational Institute, Agra, India

Publisher

Informa UK Limited

Subject

Materials Chemistry,Organic Chemistry,Polymers and Plastics

Link

https://www.tandfonline.com/doi/pdf/10.1080/10406638.2022.2140681

Reference56 articles.

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3. B. Elvers,Ullmann's encyclopedia of industrial chemistry,Vol. 17(Hoboken, NJ: Verlag Chemie, 1991), p. 363–376.

4. Vibrational spectrum of 3-methyl and 4-methylpyridine

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