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  • [\'Register number 18113162132001, Department of Physics and Research Centre, Scott Christian College (Autonomous), Nagercoil- 629003, Tamil Nadu, Affiliated to Manonmaniam Sundarnar University, Abishekapatti, Tirunelveli 627012, India.\', \'Department of Pharmaceutical Chemistry, Shri Vile Parle Kelavani Mandal\'s Institute of Pharmacy, Dhule, Maharashtra 424001, India; Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi 835215, JH, India.\', \'Department of Chemistry, Jadavpur University, Kolkata 700 032, WestBengal, India.\', \'Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi 835215, JH, India.\', \'Register number 18113162132001, Department of Physics and Research Centre, Scott Christian College (Autonomous), Nagercoil- 629003, Tamil Nadu, Affiliated to Manonmaniam Sundarnar University, Abishekapatti, Tirunelveli 627012, India. Electronic address: james@scottchristian.org.\']
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  • S1386-1425(20)30804-010.1016/j.saa.2020.118825
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  • Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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  • 32866803
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  • Quantum chemical insight into molecular structure, NBO analysis of the hydrogen-bonded interactions, spectroscopic (FT-IR, FT-Raman), drug likeness and molecular docking of the novel anti COVID-19 molecule 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide - dimer.
?:type
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  • 2021

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