M
M. Amalanathan
Researcher at Mar Ivanios College
Publications - 36
Citations - 853
M. Amalanathan is an academic researcher from Mar Ivanios College. The author has contributed to research in topics: Natural bond orbital & Density functional theory. The author has an hindex of 16, co-authored 31 publications receiving 620 citations.
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Critical green routing synthesis of silver NPs using jasmine flower extract for biological activities and photocatalytical degradation of methylene blue
M. Aravind,Awais Ahmad,Ikram Ahmad,M. Amalanathan,Khalida Naseem,Sony M. Michael Mary,C. Parvathiraja,Shahid Hussain,Tahani Saad AlGarni,Muhammad Pervaiz,Muhammad Zuber +10 more
TL;DR: Herin et al. as mentioned in this paper used jasmine flower extract as capping as well as stabilizing agent to synthesize metal and metal oxide nanoparticles, which achieved a maximum degradation efficiency of 78% at the end of 120min.
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Theoretical and vibrational spectral investigation of sodium salt of acenocoumarol
TL;DR: In this paper, the FT-IR and FT-Raman spectra of acenocoumarol sodium salt in solid phase have been recorded and analyzed with the help of B3LYP density functional theory (DFT) methods.
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Vibrational spectral investigation and natural bond orbital analysis of pharmaceutical compound 7-Amino-2,4-dimethylquinolinium formate - DFT approach.
TL;DR: The molecular geometry, the normal mode frequencies and corresponding vibrational assignments, natural bond orbital analysis and the HOMO-LUMO analysis of 7-Amino-2,4-dimethylquinolinium formate in the ground state confirmed the presence of intramolecular charge transfer and the hydrogen bonding interaction.
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Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid)
TL;DR: The FT-IR and Raman spectra of 3,5-dinitrobenzoic acid have been recorded and analyzed and Mulliken population analysis shows the interactions C-N-O⋯H-C and C-O-C.
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NBO analysis and vibrational spectra of 2,6-bis(p-methyl benzylidene cyclohexanone) using density functional theory.
TL;DR: Vibrational analysis of the 2,6-bis(p-methyl benzylidene cyclohexanone) compound was carried out by using NIR FT-Raman and FT-IR spectroscopic techniques and the optimized geometry clearly demonstrates cyclo hexanone ring chair conformation is changed into half-chair conformation.