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<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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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>
 
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
 
Uncontrolled Index Term Antimicrobial activity; DFT approach; Correlation
 
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.
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2019-02-27 09:40:58
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/20823
 
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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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJPAP/article/download/20823/465464691
 
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