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- Atomic, Molecular and Chemical
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Bio
Density Functional Theory,Vibrational spectroscopy,Quantum Chemistry,Atomic clusters,Biomolecules
Personal Details
- Male
- Professor , University of Lucknow
- Department of Physics,Lucknow University
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Co-Authors (14)
Deen Dayal Upadhyaya Gorakhpur University
Banaras Hindu University
Mangalore University
Visva-Bharati University
MALABAR CHRISTIAN COLLEGE, KOZHIKKODE
University of Kerala
Mangalore University
Shri Madhwa Vadiraja Institute of Technology & Management, BANTAKAL
Jammu University
Annamalai University
Alva's Institute of Engineering and Technology, MOODBIDRI
Manipal University, Jaipur
Annamalai University
Jammu University
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Scholarly Publications
3,5,7-Trimethoxyphenanthrene-1,4-dione: A new biologically relevant natural phenanthrenequinone derivative from: Dioscorea prazeri and studies on its single X-ray crystallographic behavior, molecular docking and other physico-chemical properties
Open AccessStructure, energetics, spectral and electronic properties of B<inf>3</inf>N<inf>3</inf>C<inf>54</inf> heterofullerene
Open AccessSynthesis, spectroscopic characterization, X-ray analysis and theoretical studies on the spectral features (FT-IR, 1H-NMR), chemical reactivity, NBO analyses of 2-(4-fluorophenyl)-2-(4-fluorophenylamino)acetonitrile and its docking into IDO enzyme
Open AccessAb initio prediction of novel alkalides FLi<inf>2</inf>-M-Li<inf>2</inf>F (M = Li, Na and K)
Open AccessCan Li 2<sup>F2</sup> cluster be formed by LiF 2<sup>Li2</sup>F-Li/F interactions? An ab initio investigation
Open AccessGold oxyfluorides, Au(OF)<inf>n</inf> (n = 1-6): novel superhalogens with oxyfluoride ligands
Open Access
10.1039/c5nj01599e
12
9