<strong>Molecular structure, spectral analysis and antimicrobial activity of (E)-2-amino-8-benzylidene-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile through DFT and AIM approach</strong>
Online Publishing @ NISCAIR
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Title Statement |
<strong>Molecular structure, spectral analysis and antimicrobial activity of (E)-2-amino-8-benzylidene-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile through DFT and AIM approach</strong> |
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Added Entry - Uncontrolled Name |
Bishnoi, Abha ; University Of Lucknow Kumar, Roop ; Department of Chemistry, Lucknow University, Lucknow 226 007, India Kumar Verma, Anil ; Department of Chemistry, Lucknow University, Lucknow 226 007, India Parveen, Huda ; Department of Chemistry, Lucknow University, Lucknow 226 007, India Fatma, Shaheen ; Department of Chemistry, Shri Ramswaroop Memorial University, Lucknow, 226 001, India Shukla, Shraddha ; Department of Chemistry, Lucknow University, Lucknow 226 007, India Devi, Poornima ; Department of Chemistry, Lucknow University, Lucknow 226 007, India Afza, Nishat ; Department of Chemistry, Lucknow University, Lucknow 226 007, India |
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Uncontrolled Index Term |
Antimicrobial activity; DFT approach; Correlation |
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Summary, etc. |
4H-pyran, (E)-2-amino-8-benzylidene-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (BCC) has been synthesised and characterized with the aid of various spectroscopic techniques, <em>viz.</em>, <sup>1</sup>H–NMR, <sup>13</sup>C-NMR, FT-IR, UV-Visible, etc. The correlation of experimental and theoretical data of structural and vibrational studies of compound has also been explored by DFT approach using B3LYP and CAM-B3LYP/6-31G (d, p) basis sets. Biological evaluation reveals that the assayed compound exhibits excellent antibacterial and antifungal activity. |
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Publication, Distribution, Etc. |
Indian Journal of Pure & Applied Physics (IJPAP) 2019-02-27 09:40:58 |
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Electronic Location and Access |
application/pdf http://op.niscair.res.in/index.php/IJPAP/article/view/20823 |
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Data Source Entry |
Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 57, ##issue.no## 2 (2019): Indian Journal of Pure & Applied Physics |
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Language Note |
en |
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Nonspecific Relationship Entry |
http://op.niscair.res.in/index.php/IJPAP/article/download/20823/465464691 |
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Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India © 2015. The Council of Scientific & Industrial Research, New Delhi. |
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