Výsledky vyhledávání - "B.S. Arun Sasi"

Study on growth, electronic structure, topological and nonlinear optical properties of semi organic material sodium sulfanilate dehydrate

Autor: C. James, S. Alen, B.S. Arun Sasi, Lija K. Joy, D. Sajan

Publikováno v: Journal of Materials Science: Materials in Electronics. 29:17887-17902

Sodium sulfanilate dehydrate, organic nonlinear optical single crystals were grown by slow evaporation solution technique. The cell parameters of SSDH were confirmed from single crystal X-ray diffraction analysis. Nonlinear optical activity has been

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::39a1e12f5f1a78d3d63d3ea4bc95ef60
https://doi.org/10.1007/s10854-018-9904-4

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Perspective on quantifying electron localization/delocalization, non-linear optical response and vibrational analysis of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline

Autor: B.S. Arun Sasi, C. James, R.P. Jebin, T. Suthan

Publikováno v: Journal of Molecular Structure. 1146:797-807

An organic nonlinear optical material 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline (DMBDNA) has been grown by slow evaporation technique. Vibrational spectral analysis has been carried out using FT Raman, FT-IR and UV–Vis spectroscopic techniqu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::32402a3edea719843165ad190bb21154
https://doi.org/10.1016/j.molstruc.2017.06.060

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Characteristics of the molecular electron density, delocalization effect and hydrogen bonding interaction of nitroxoline

Autor: A.R. Twinkle, B.S. Arun Sasi, C. James

Publikováno v: Journal of Molecular Structure. 1141:524-534

The density functional theoretical (DFT) calculations have been carried out at the B3LYP/6-311G(d,p) level of theory for nitroxoline monomer and dimer molecule. The dimer molecule formed between two nitroxoline subunits has the largest stability, and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::142646a10902b64e5f27a660927ea2e1
https://doi.org/10.1016/j.molstruc.2017.03.125

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Spectroscopic and molecular structure investigation of Propachlor herbicide: A combined experimental and theoretical study

Autor: S. Balachandran, Jesby George, A. Ronaldo Anuf, N. Suma, I. Hubert Joe, G.P. Sheeja Mol, B.S. Arun Sasi, D. Aruldhas

Publikováno v: Journal of Molecular Structure. 1221:128866

The Fourier Transform Infrared (FT-IR) and FT- Raman spectra of propachlor(PCRM) herbicide are recorded in the region 400–4000cm−1and 50–3500cm−1 respectively. Vibrational spectrum is performed with NCA and the wavenumber's are scaled by usin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::007e3b3956ad0a39830764f1a5f69cdf
https://doi.org/10.1016/j.molstruc.2020.128866

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Vibrational spectral characterization, NLO studies and charge transfer analysis of the organometallic material l-Alanine cadmium chloride

Autor: C. James, K.C. Bright, B.S. Arun Sasi

Publikováno v: Journal of Molecular Structure. 1103:286-294

An organometallic nonlinear crystal, l -Alanine Cadmium Chloride (LACC) was synthesized by slow evaporation technique. The effects of hydrogen bonding on the structure, binding of ligand to metal ion, natural orbital occupancies, and vibrational freq

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5168e7c945b771b40a1f918748c11c56
https://doi.org/10.1016/j.molstruc.2015.08.052

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Experimental and computational approach on p-toluenesulfonamide and its derivatives

Autor: B.S. Arun Sasi, D. Aruldhas, I. Hubert Joe, A. Beta Daniel

Publikováno v: Journal of Molecular Structure. 1218:128503

Spectral analysis of para-toluenesulfonamide (PTS) molecule was experimentally investigated in solid phase by FT-IR, FT-Raman, UV–visible and NMR techniques. The quantum theoretical calculations were performed to predict the bio-activity using the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0f24a5f3820f8253ec8d9e6641dc5b25
https://doi.org/10.1016/j.molstruc.2020.128503

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Spectroscopic, quantum chemical, QTAIM analysis, molecular dynamics simulation, docking studies and solvent effect of pyridin-2-yl oxyacetic acid herbicide and its derivatives

Autor: N. Suma, A. Ronaldo Anuf, B.S. Arun Sasi, D. Aruldhas, I. Hubert Joe

Publikováno v: Journal of Molecular Structure. 1206:127677

The density functional theory calculations and spectroscopic characterization (FTIR, FT- Raman, 1H, 13C NMR and ultraviolet–visible) of the herbicide compound Triclopyr (TCP) on monomeric and dimeric model is carried out. Its computational results

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::015d05fba2338ae0880b6eea1dc1875d
https://doi.org/10.1016/j.molstruc.2019.127677

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Vibrational spectra, structural conformations, scaled quantum chemical calculations and NBO analysis of 3-acetyl-7-methoxycoumarin

Autor: R. Reshmy, K. Kurien Thomas, Yusuf Erdogdu, B.S. Arun Sasi, Lynnette Joseph, D. Sajan

WOS: 000311814300035 PubMed ID: 23078790 The powder form NIR-FT Raman and FT-IR spectra of 3-acetyl-7-methoxycoumarin (3A7MC) have been recorded in the regions 4000-400 and 3500-100 cm(-1), respectively. The equilibrium geometry, vibrational frequenc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b112805a65a16921263e65e2d4b330c
https://avesis.gazi.edu.tr/publication/details/d82eef11-d946-46bf-8daa-8de6925e6af1/oai

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