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Polycyclic Aromatic Compounds Volume 42, 2022 - Issue 7
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Research Articles

Quantum Mechanical Study, Spectroscopic (FT-IR, FT-Raman and UV-Vis) Study, NBO, NLO Analysis and Molecular Docking Studies of 2-Ethoxy-4-(Pyridine-2yliminomethyl)-Phenol

Towseef Ahmad Hajama Department of Physics, Annamalai University, Annamalainagar, India
,
H. Saleema Department of Physics, Annamalai University, Annamalainagar, IndiaCorrespondence[email protected]
,
M. Syed Ali Padhushab PG and Research Department of Chemistry, Jamal Mohamed College, Trichy, India
&
K. K. Mohammed Ameenb PG and Research Department of Chemistry, Jamal Mohamed College, Trichy, India
Pages 4819-4842 | Received 10 Jan 2021, Accepted 21 Feb 2021, Published online: 10 Mar 2021

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Kaliraj Chandran, Azar Zochedh, Asath Bahadur Sultan & Thandavarayan Kathiresan. (2023) Synthesis of 1-Piperoylpiperidine Investigated Through Spectroscopy, Quantum Computation, Pharmaceutical Activity, Docking and MD Simulation Against Breast Cancer. Polycyclic Aromatic Compounds 0:0, pages 1-35.
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Hajam Towseef Ahmad, K. K. Mohammed Ameen, H. Saleem, M. Syed Ali Padusha & F. M. Mashood Ahamed. (2023) Molecular structure determination, spectroscopic, quantum computational studies and molecular docking of 4-(E)-[2-(benzylamino)phenylimino) methyl-2]ethoxy phenol. Journal of Biomolecular Structure and Dynamics 41:8, pages 3574-3590.
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Azar Zochedh, Kaliraj Chandran, Mohana Priya, Asath Bahadur Sultan & Thandavarayan Kathiresan. (2023) DFT Simulation of Berberine Chloride with Spectroscopic Characterization – Biological activity and Molecular Docking against Breast Cancer. Polycyclic Aromatic Compounds 0:0, pages 1-25.
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Towseef Ahmad Hajam, H. Saleem, M. Syed Ali Padusha & K. K. Mohammed Ameen. (2022) Spectroscopic Studies (FT-IR, FT-Raman and UV-Vis), NBO Analysis, HOMO-LUMO, First Order Hyperpolarizability and Docking Studies of 4-[4-(Bromo-Phenylimino)-Methyl]-2-Ethoxy Phenol. Polycyclic Aromatic Compounds 42:9, pages 6662-6685.
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Articles from other publishers (2)

P. Rajeswaran, A. Alfind Paul Frit, R. Rajesh, B. Vijayakumar, Pradeep Katta, N.R. Sheela & S. Muthu. (2023) Quantum computational, spectroscopic and molecular docking studies on 6-amino-3-bromo-2-methylpyridine. Journal of the Indian Chemical Society 100:1, pages 100868.
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Said Zouitina, Siham El Azze, Meryem Bensemlali, Mustapha Faqir, El Baz Morad, Mohammed El idrissi & Abdessamad Tounsi. (2022) First-principles study of nonlinear optical and electronic properties of A-π-D-π-A configured compounds with novel oligothiophenes. Materials Science for Energy Technologies 5, pages 473-480.
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