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Spectroscopy Letters
An International Journal for Rapid Communication
Volume 49, 2016 - Issue 3
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Original Articles

Conformational, vibrational spectroscopic, nonlinear optical activity, and structure–activity studies on 2-hydroxy-3,5-dinitropyridine: Combined experimental and density functional theory approach

R. Mohamed AsathDepartment of Physics, N.M.S.S.V.N. College, Madurai, Tamilnadu, India
,
T. N. RekhaPG & Research Department of Physics, Lady Doak College, Madurai, Tamilnadu, India
,
Beulah J. M. RajkumarPG & Research Department of Physics, Lady Doak College, Madurai, Tamilnadu, India
,
S. PremkumarDepartment of Physics, N.M.S.S.V.N. College, Madurai, Tamilnadu, India
,
A. JawaharDepartment of Chemistry, N.M.S.S.V.N. College, Tamilnadu, India
,
T. MathavanDepartment of Physics, N.M.S.S.V.N. College, Madurai, Tamilnadu, India
&
A. Milton Franklin BenialDepartment of Physics, N.M.S.S.V.N. College, Madurai, Tamilnadu, IndiaCorrespondence[email protected]
 show all
Pages 155-166 | Received 11 Jul 2015, Accepted 19 Oct 2015, Published online: 08 Jan 2016

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S. Pushpam, V. Sheelarani, S. Christopher Jeyaseelan & A. Milton Franklin Benial. (2023) Spectroscopic, Quantum Chemical and Molecular Docking Studies on N-(9H-Purin-6-yl) Benzamide: A Potent Antimalarial Agent. Polycyclic Aromatic Compounds 0:0, pages 1-24.
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Azar Zochedh, Kaliraj Chandran, Athimoolam Shunmuganarayanan & Asath Bahadur Sultan. (2023) Exploring the Synergistic Effect of Tegafur-Syringic Acid Adduct Against Breast Cancer through DFT Computation, Spectroscopy, Pharmacokinetics and Molecular Docking Simulation. Polycyclic Aromatic Compounds 0:0, pages 1-35.
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P. V. Sreelaja & C. Ravikumar. (2019) Charge transfer interaction and vibrational spectral investigation of 2-amino-5-nitropyridinium sulfamate. Spectroscopy Letters 52:9, pages 492-509.
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Lamthaka Willingson, P.Suraj Singh & Th.Gomti Devi. (2024) Spectroscopic and computational study of Favipiravir-Adenine cocrystallization biomolecular complex. Journal of Molecular Structure 1308, pages 137962.
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S. Pushpam, S. Christopher Jeyaseelan, R. Jesintha Rani, Shamima Hussain & A. Milton Franklin Benial. (2023) Spectroscopic, quantum chemical investigation and molecular docking studies on N‐(2‐benzoylamino) phenyl benzamide: A novel SARS‐CoV‐2 drug. Journal of Molecular Recognition 36:12.
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Azar Zochedh, Athimoolam Shunmuganarayanan & Asath Bahadur Sultan. (2023) Conformational fidelity and hydrogen bond associability of L-histidine with sulfamate anion studied through XRD, quantum chemical, spectroscopic and molecular docking simulation as a cdk-4 inhibitor against retinoblastoma. Journal of Molecular Structure 1274, pages 134402.
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P. Lalitha, S. Arumugam, A. Sinthiya, C. Nivetha & M. Muthuselvam. (2023) Oxalic acid incorporated acetamide single crystal growth dynamics, characterization, NLO and antimicrobial activities via shock wave treatment. Results in Chemistry 5, pages 100790.
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R. Premkumar, Shamima Hussain, Naidu Dhanpal Jayram, Stève-Jonathan Koyambo-Konzapa, M.S. Revathy, T. Mathavan & A. Milton Franklin Benial. (2022) Adsorption and orientation characteristics of 1-methylpyrrole-2-carbonyl chloride using SERS and DFT investigations. Journal of Molecular Structure 1253, pages 132201.
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R. Premkumar, Shamima Hussain, Stève-Jonathan Koyambo-Konzapa, Naidu Dhanpal Jayram, T. Mathavan & A. Milton Franklin Benial. (2021) SERS and DFT investigations of methyl 4‑bromo-1H-pyrrole-2-carboxylate adsorbed on silver and gold substrates: In perspective of biosensor applications. Journal of Molecular Structure 1236, pages 130272.
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G. Pandimeena, R. Premkumar, T. Mathavan & A. Milton Franklin Benial. (2021) Spectroscopic, Quantum chemical and Molecular docking Studies on Methyl 6-aminopyridine-3-carboxylate: A potent bioactive agent for the treatment of sarcoidosis. Journal of Molecular Structure 1231, pages 129996.
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Christopher Jeyaseelan S., Milton Franklin Benial A. & Kaviyarasu K.. (2020) Vibrational, spectroscopic, chemical reactivity, molecular docking and in vitro anticancer activity studies against A549 lung cancer cell lines of 5‐Bromo ‐indole‐3‐carboxaldehyde . Journal of Molecular Recognition 34:3.
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Bhargab Borah & Th. Gomti Devi. (2020) Molecular property analysis of the interacting state of L-Threonine and Metformin: An experimental and computational approach. Journal of Molecular Structure 1221, pages 128819.
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Monika, Shun Inaoka, Koichi Iwata & Satyen Saha. (2020) Towards the critical understanding of selected vibrational features in biologically important dicyano aromatic conjugated molecules: Importance of electron donating/withdrawal groups and geometry associated with dicyano group. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 224, pages 117419.
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H. Jude Leonard Hilary, P. Dhamodharan, P.C. Jobe Prabakar, A. Christy Ferdinand, S. Thiyagaraj & N. Moorthy. (2019) Structural, optical, mechanical and dielectric property studies of adduct single crystal 2,4,6-trinitrobenzene-1,3-diol-2-methylimidazole: A spectroscopic and theoretical approach. Physica B: Condensed Matter 567, pages 25-36.
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R. Mohamed Asath, R. Premkumar, T. Mathavan & A. Milton Franklin Benial. (2017) Spectroscopic and molecular docking studies on N , N -di- tert -butoxycarbonyl (Boc)-2-amino pyridine: A potential bioactive agent for lung cancer treatment. Journal of Molecular Structure 1143, pages 415-423.
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Yusuf Sert, Nuri Öztürk, Fatmah A. M. Al-Omary, Can Alaşalvar, Mona M. Al-Shehri, Ali A. El-Emam & Halil Gökce. (2017) Experimental (FT-IR, Laser-Raman and NMR) and theoretical spectroscopic analysis of 3-[(N-methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione. Journal of Theoretical and Computational Chemistry 16:03, pages 1750024.
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R. Mohamed Asath, S. Premkumar, T. Mathavan & A. Milton Franklin Benial. (2017) Vibrational spectroscopic, molecular docking and quantum chemical studies on 6-aminonicotinamide. Journal of Molecular Structure 1134, pages 143-156.
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R. Mohamed Asath, R. Premkumar, T. Mathavan & A. Milton Franklin Benial. (2017) Structural, spectroscopic and molecular docking studies on 2-amino-3-chloro-5-trifluoromethyl pyridine: A potential bioactive agent. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 175, pages 51-60.
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A. Parameswari, R. Mohamed Asath, R. Premkumar & A. Milton Franklin Benial. (2017) Surface enhanced raman spectroscopy studies on triglycine sulphate single crystals. Journal of Molecular Structure 1128, pages 428-438.
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Onur Akyıldırım, Halil Gökce, Semiha Bahçeli & Haydar Yüksek. (2017) Theoretical and spectroscopic (FT-IR, NMR and UV–Vis.) characterizations of 3-p-chlorobenzyl-4-(4-carboxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one molecule. Journal of Molecular Structure 1127, pages 114-123.
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