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Polycyclic Aromatic Compounds Volume 44, 2024 - Issue 3
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Research Articles

Synthesis, Quantum Mechanical Studies, Physicochemical Properties and Molecular Docking Studies of Schiff Base N-N-(1,2-Phenylene)Bis(1-(4-Bromophenyl)Methanimine) from o- Phenylenediamine and 4-Bromobenzaldehyde

T. Sankar Ganesana Department of Chemistry, Arignar Anna Government Arts College, Musiri, Bharathidasan University, Tiruchirappalli, Tamilnadu, India
,
N. Elangovanb Centre for Theoretical and Computational Chemistry, St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala, India;c Department of Mechanical Engineering, University Centre for Research & Development Chandigarh University, Gharuan, Mohali, Punjab, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-8665-0519
ORCID Icon,
A. Sirajunnisad Department of Chemistry, K. Ramakrishnan College of Engineering, Trichy, Tamilnadu, India
,
T. Angela Department of Chemistry, Arignar Anna Government Arts College, Musiri, Bharathidasan University, Tiruchirappalli, Tamilnadu, India
,
S. Sowrirajane Department of Chemistry, King Fahd University of Petroleum and Minerals, Dhahran, Kingdom of Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-4865-3575
ORCID Icon,
S. Chandrasekara Department of Chemistry, Arignar Anna Government Arts College, Musiri, Bharathidasan University, Tiruchirappalli, Tamilnadu, IndiaCorrespondence[email protected]
,
Deepthi S. Rajendran Nairf Department of Ophthalmology, Keck School of Medicine, University of Southern California, Los Angeles, CA, USA
&
Renjith Thomasb Centre for Theoretical and Computational Chemistry, St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala, India;g Department of Chemistry, St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-0011-633X
ORCID Icon show all
Pages 1971-1990 | Received 23 Nov 2022, Accepted 25 Apr 2023, Published online: 10 May 2023

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Songül Şahin. (2023) A New Molecular Structure and Computational Analyses: DFT Studies, NLO Properties, ADMET Predictions, Biological Targets, and Docking Experiments. Polycyclic Aromatic Compounds 0:0, pages 1-15.
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T. Sankar Ganesan, N. Elangovan, Munusamy Thirumavalavan, Shanthi Seenan, S. Sowrirajan, S. Chandrasekar, Natarajan Arumugam, Abdulrahman I. Almansour, Sakkarapalayam M. Mahalingam, Datta Darshan V M, Subbarao Kanchi & Venketesh Sivaramakrishnan. Synthesis, topology, molecular docking and dynamics studies of o-phenylenediamine derivative. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
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