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V. Vijayakumar, H. Saleem, "Enhancing the optical properties of sodium 4-nitrophenolate dehydrate single crystals: role of second and third harmonic generation efficiencies.", J. Material Science: Mater Electron, Volume 34, Number 19, Jul 2023, pp. 1473-1483. 2023 / https://doi.org/10.1007/s10854-023-10876-y. | |
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Towseef Ahmad Hajam, H. Saleem, "Structural, vibrational spectroscopy, molecular docking, DFT studies and antibacterial activity of (E)-N1-(3-chlorobenzylidene) benzene-1,4-diamine.", Biomolecular Structure and dynamics, Volume 41, Number 13, Feb 2022, pp. 6295-6312. 2022 / https://doi.org/10.1080/07391102.2022.2106516. | |
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Towseef Ahmad Hajam, H. Saleem, "Phytochemistry, biological activities, industrial and traditional uses of fig (Ficus carica): A review.", Journal of Chemico-biological interaction, Volume Volume 368, Number 12, Dec 2022, pp. 110237-110237. 2022 / https://doi.org/10.1016/j.cbi.2022.110237. | |
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Towseef Ahmad Hajam, H. Saleem, "Synthesis, crystal structure, spectroscopic, quantum chemical investigation, molecular docking and ADMET prediction of 2(E)-3-(anthracen-9-yl)-1-(1-methyl-1H-pyrrol-2-yl) prop-2-en-1-one.", Journal of Result in Chemistry, Volume 4, Number 1, Jan 2022, pp. 100415-100415. 2022 / https://doi.org/10.1016/j.rechem.2022.100415. | |
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S.Srinivasan, Towseef Ahmad Hajam, S.Santhosh, H.Saleem, "Synthesis, crystal structure, spectroscopic, quantum chemical investigation, molecular docking and ADMET prediction of 2(E)-3-(anthracen-9-yl)-1-(1-methyl-1H-pyrrol-2-yl) prop-2-en-1-one.", Results in Chemistry, Volume 4, Number -, May 2022, pp. 1-17. 2022/https://doi.org/10.1016/j.rechem.2022.100415. | |
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Hajam Towseef Ahmad, K. K. Mohammed Ameen, H. Saleem, M. Syed Ali Padusha & F. M. Mashood Ahamed, "Molecular structure determination, spectroscopic, quantum computational studies and molecular docking of 4-(E)-[2-(benzylamino)phenylimino) methyl-2]ethoxy phenol.", Journal of Biomolecular Structure and Dynamics, Volume -, Number -, Mar 2022, pp. 1-17. 2022/https://doi.org/10.1080/07391102.2022.2052354. | |
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K. K. Mohammed Ameen, Towseef Ahmad Hajam, M. Syed Ali Padusha, H. Saleem, D. Partha Sarathi, "Spectroscopic analysis, DFT studies and molecular docking of 2,3-dichloro-benzylidine-(2-trifluoromethyl-phenol)-amine.", Vietnam Journal of Chemistry, Volume 60, Number 1, Feb 2022, pp. 49-69. 2022/https://doi.org/10.1002/vjch.202100077. | |
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Towseef Ahmad Hajam, H. Saleem, M. Syed Ali Padusha, K.K. Mohamed Ameen, "Quantum Mechanical Study, Spectroscopic (FT-IR, FT-Raman and UV-Vis) Study, NBO, NLO Analysis and Molecular Docking Studies of 2-Ethoxy-4-(Pyridine-2yliminomethyl)-Phenol.", Polycyclic Aromatic Compounds, Volume -, Number -, Mar 2021, pp. 1-24. 2021/https://doi.org/10.1080/10406638.2021.1896561. | |
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Towseef Ahmad Hajam, H. Saleem, M. Syed Ali Padusha, K.K. Mohamed Ameen, "Spectroscopic Studies (FT-IR, FT-Raman and UV-Vis), NBO Analysis, HOMO-LUMO, First Order Hyperpolarizability and Docking Studies of 4-[4-(Bromo-Phenylimino)-Methyl]-2-Ethoxy Phenol.", Polycyclic Aromatic Compounds, Volume -, Number -, Oct 2021, pp. 1-25. 2021/https://doi.org/10.1080/10406638.2021.1988994. | |
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Towseef Ahmad Hajam, H. Saleem, M. Syed Ali Padusha, K.K. Mohamed Ameen, "Synthesis, quantum chemical calculations and molecular docking studies of 2-ethoxy-4[(2-trifluromethyl-phenylimino)methyl]phenol.", Polycyclic Aromatic Compounds, Volume 118, Number 24, Jun 2020, pp. 1-19. 2020/doi.org/10.1080/00268976.2020.1781945. | |
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A. R. Krishnan, H. Saleem, K. Jayakumar, D. Nandhini, S. Subashchandrabose, "Spectroscopic and Computational Analysis of 4-Methoxythioanisole.", International Journal of Engineering Research and Training,, Volume 9, Number 2, Feb 2020, pp. 70-83. 2020. | |
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Shireen Mahala Tagore, Dr. H. Saleem, Dr. Kaleem Ahmed Jaleeli, "Spectroscopical Diabetes Management of Onoin.", Engineering Sciences International Research Journal, Volume 7, Number 2, Oct 2019, pp. 20-23. 2019. | |
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G. Shakila, H. Saleem, "Spectral analysis of ethyl 6-(chloromethyl)-4-(3-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate-using DFT computations.", Indian Journal of Applied Research, Volume 8, Number 3, Mar 2018, pp. 6-15. 2018. | |
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A. Nathiya , H. Saleem*, S. Bharanidharan , M. Suresh. , "Synthesis and vibrational spectral (FT-IR, FT-Raman) studies, NLO properties & NBO analysis of (E)-N'(thiophen-2yl methylene)isonicotinohydrazide using quantum chemical method.", International Journal of Advanced Chemistry , Volume 6, Number 1, May 2018, pp. 53-66. 2018/doi: 10.14419/ijac.v6i1.9046. | |
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A Nathiya, H Saleem, T Jayakumar, A Rajavel, NR Babu. , "Molecular Structure and Vibrational Analysis of 2-(4-methoxyphenyl)-2, 3-dihydro-1h-perimidine Using Density Functional Theory.", Journal of New Developments in Chemistry , Volume 1, Number 2, Apr 2017, pp. 70-78. 2017/DOI: 10.14302/issn.2377-2549.jndc-17-1488. | |
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A. Nathiya, H. Saleem, M. Suresh, M. Syed Ali Padusha, M. Ramalingan, "Synthesis and structural analysis of (E)-N-(3,4-Dimethoxybenzylidene) isonicotinohydrazide-A Combined experimental and theoretical study.", International Journal for Research in Applied Science and Engineering Technology, Volume 5, Number 9, Sep 2017, pp. 65-75. 2017. | |
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S Bharanidharan, H Saleem, S Subashchandrabose, M Suresh, NR Babu, "FT-IR, FT-Raman and UV-Visible Spectral Analysis on (E)-N-(thiophen-2-ylmethylene) Nicotinohydrazide.", Archives in Chemical Research, Volume 1, Number 2, Jan 2017, pp. 1-12. 2017/. | |
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D Sumathi, H Saleem, A Nathiya, N Ramesh Babu, D Usha, "FT-IR, FT-Raman, Homo-Lumo and UV-Visible Spectral Analysis of E-(N)-(1H-indol-3yl) Methylene Isonicotinohydrazide).", Journal of New Developments in Chemistry, Volume 1, Number 3, May 2017, pp. 1-10. 2017/DOI: 10.14302/issn.2377-2549.jndc-17-1459. | |
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Shireen Mahala Tagore, Dr. H. Saleem, Dr. Kaleem Ahmed Jaleeli, Adeel Ahmed, "Study of Antihyperglycemic Effect of Medicinal Plant Fenu Greek-Anti Diabetic.", International Journal of Emerging Technologies in Engineering Research, Volume 5, Number 8, Aug 2017, pp. 41-44. 2017. | |
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G.Shakila , Dr.H. Saleem, "Spectroscopic Investigation (FT-IR, FT-RAMAN, UV and NMR), NBO, NLO Analysis and Fukui Function of 2, 5-Dichloroaniline by DFT Calculations.", IOSR Journal of Applied Physics (IOSR-JAP) , Volume 9, Number 4, Apr 2017, pp. 42-58. 2017/DOI:10.9790/4861-0904024258. | |
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A Nathiya, H Saleem, S Bharanidharan, M Suresh, MSA Padusha, "Synthesis and vibrational analysis of (E)-N’-(Pyridin-2-yl) methylene)isonicotinohydrazide-A Combined Experimental Theoretical Study..", International Journal for Research in Applied Science and Engineering Technology (IJRASET), Volume 5, Number 98, Apr 2017, pp. 70-99. 2017. | |
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G Shakila, H Saleem, N Sundaraganesan., "FT-IR, FT-Raman, NMR and UV Spectral investigation: Computation of vibrational frequency, chemical shifts and electronic structure calculations of 1-bromo-4-nitrobenzene..", World Scientific News , Volume 61, Number 2, Apr 2017, pp. 150-185. 2017. | |
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S. Bharanidharan, H. Saleem, S. Subashchandrabose, M. Suresh, A. Nathiya, M. Syed Ali Padusha, "Vibrational Spectral Analysis and First Order Hyperpolarizability Calculations on (E)-N-(furan-2-yl methylene) Nicotinohydrazide.", Journal of New Developments in Chemistry, Volume 1, Number 2, Apr 2016, pp. 12-36. 2016/DOI 10.14302/issn.2377-2549.jndc-16-949. | |
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S. Bharanidharan, H. Saleem, S. Subashchandrabose, M. Suresh, A. Nathiya, M. Syed Ali Padusha, "Vibrational Spectral Analysis and First Order Hyperpolarizability Calculations on (E)-N-(furan-2-yl methylene) Nicotinohydrazide.", Journal of New Developments in Chemistry, Volume 1, Number 2, Apr 2016, pp. 1-25. 2016/DOI 10.14302/issn.2377-2549.jndc-16-949. | |
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NR Babu, H Saleem, S Subashchandrabose, MSA Padusha, S Bharanidharan. , "Structural and vibrational studies on 1-(5-methyl-[1, 3, 4] thiadiazol-2-yl)-pyrolidin-2-ol.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 152, Number 5, Jan 2016, pp. 252-261. 2016/https://doi.org/10.1016/j.saa.2015.06.112. | |
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S Subashchandrabose, V Thanikachalam, G Manikandan, H Saleem, Y Erdogdu , "Synthesis and spectral characterization of bis (4-amino-5-mercapto-1, 2, 4-triazol-3-yl) propane.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 157, Number 15, Mar 2016, pp. 96-103. 2016/https://doi.org/10.1016/j.saa.2015.12.005. | |
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S Bharanidharan, A Nathiya, H Saleem, A Arokiasamy, V Thanikachalam, "Synthesis and Structural Characterization of 2-Hydroxy-5-(Phenyldiazenyl) Benzaldehyde Oxime-A Theoretical Approach.", J Theor Comput Sci , Volume 3, Number 146, Jun 2016, pp. 1-12. 2016/DOI: 10.4172/2376-130X.1000146. | |
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D. Sumathi V.Thanikachalam S . Bharanidharan H . Saleem, N. Ramesh Babu, "Vibrational spectroscopy (FT-IR, FT-Raman and UV) studies of E-[1-Methyl-2,6-diphenyl3-(propan-2-yl)piperidin-4-ylidene]amino 3-methylbenzoate] using DFT method.", IJSR- International Journal of Scientific Research , Volume 5, Number 3, Mar 2016, pp. 694-713. 2016. | |
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D.Sumathi, H. Saleem*, S.Srinivasan, N.RameshBabu, D.Usha , "Vibrational, Ultra Violet, Natural Bond Orbital analysis of E-[1-(3'-methylthienyl)-5-Phenyl-2, 4-Pentadiene-3-one] using Quantum Mechanical Computations and Experimental Spectra. .", Journal of New Developments in Chemistry , Volume 1, Number 2, Sep 2016, pp. 1-26. 2016. | |
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R Anbarasan, A Dhandapani, S Manivarman, S Subashchandrabose, H Saleem , "Synthesis and spectroscopical study of rhodanine derivative using DFT approaches.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 146, Number 5, Jul 2015, pp. 261-272. 2015/https://doi.org/10.1016/j.saa.2015.02.097. | |
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H.Saleem, S.Subashchandrabose, N.Ramesh Babu, M.Syed Ali Padusha, "Vibrational spectroscopy investigation and density functional theory calculations on (E)-N-(4-methoxybenzylidene) benzohydrazide.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 143, Number 15, May 2015, pp. 230-241. 2015/https://doi.org/10.1016/j.saa.2015.02.016. | |
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A. Nathiya, H. Saleem, S. Bharanidharan, M. Suresh, M. Syed Ali Padusha, "Structural and Vibrational Analysis of (E)-N-(Pyridin-2-yl)Methylene)Nicotinohydrazide Using Quantum Chemical Calculation.", International Letters of Chemistry, Physics and Astronomy, Volume 61, Number -, Nov 2015, pp. 162-177. 2015/doi.org/10.18052/www.scipress.com/ILCPA.61.162.. | |
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D. Sumathi, H. Saleem, S. Srinivasan, M. Manivarman, S. Subashchandrabose, A. Dhandapani , "Structural and Non-linear optical behavior analysis of 1-(3-methoxyphenyl)-5-phenyl-2,4-pentadiene-3-one using DFT calculations.", Indian Journal of Applied Research, Volume 5, Number 8, Aug 2015, pp. 13-25. 2015. | |
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S Subashchandrabose, NR Babu, H Saleem, MSA Padusha, "Vibrational studies on (E)-1-((pyridine-2-yl) methylene) semicarbazide using experimental and theoretical method.", Journal of Molecular Structure , Volume 1094, Number 15, Aug 2015, pp. 254-263. 2015. | |
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S Savithiri, G Rajarajan, V Thanikachalam, S Bharanidharan, H Saleem, "Spectroscopic (FT-IR, FT-Raman) and quantum mechanical studies of 3t-pentyl-2r, 6c-diphenylpiperidin-4-one thiosemicarbazone.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 136, Number 5, Feb 2015, pp. 782-792. 2015/https://doi.org/10.1016/j.saa.2014.09.095. | |
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KG Krishnan, R Sivakumar, V Thanikachalam, H Saleem. , "Synthesis, spectroscopic investigation and computational study of 3-(1-(((methoxycarbonyl) oxy) imino) ethyl)-2H-chromen-2-one.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 144, Number 5, Jun 2015, pp. 29-42. 2015/https://doi.org/10.1016/j.saa.2015.02.021. | |
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S Bharanidharan, H Saleem, M Suresh and B Gunasekaran, "Synthesis and Crystal Structure of Ethyl 6-(chloromethyl)-4-(3-Chlorophenyl)-2-oxo- 1,2,3,4-Tetrahydropyrimidine-5-Carboxylate.", Structural Chemistry & Crystallography Communication, Volume 1, Number 1, Oct 2015, pp. 1-5. 2015. | |
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S Savithiri, G Rajarajan, V Thanikachalam, H Saleem, "Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r, 6c-diphenylpiperidin-4-one semicarbazone.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 148, Number 5, Sep 2015, pp. 189-202. 2015/https://doi.org/10.1016/j.saa.2015.03.117. | |
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D Rajaraman, G Sundararajan, A Kamaraj, H Saleem, K Krishnasamy, "Synthesis, computational and spectroscopic analysis on (E)-(4-(2-(benzo [d] thiazol-2-yl) hydrazono)-3-methyl-2, 6-diphenylpiperidine-1-yl)(phenyl) methanone using DFT approach.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 151, Number 5, Dec 2015, pp. 480-489. 2015/https://doi.org/10.1016/j.saa.2015.06.037. | |
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R Rajkumar, A Kamaraj, S Bharanidharan, H Saleem, K Krishnasamy , "Synthesis, spectral characterization, single crystal X-ray diffraction and DFT studies of 4-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)pyridine derivatives.", Journal of Molecular Structure , Volume 1084, Number 15, Mar 2015, pp. 74-81. 2015/https://doi.org/10.1016/j.molstruc.2014.10.035. | |
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M Suresh, M Syed Ali Padusha, S Bharanidharan, H Saleem, A Dhandapani, S Manivarman, "Synthesis, spectral characterization and density functional theory exploration of 1-(quinolin-3-yl) piperidin-2-ol.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 144, Volume 144, Number 5, Jun 2015, pp. 243-257. 2015/https://doi.org/10.1016/j.saa.2015.02.018. | |
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K Gokula Krishnan, R Sivakumar, V Thanikachalam, H Saleem, "Synthesis, spectroscopic investigation and computational study of 3-(1-(((methoxycarbonyl) oxy) imino) ethyl)-2H-chromen-2-one.", Spectrochimica Acta Part A: Molecular Spectroscopy , Volume 144, Number 5, Jun 2015, pp. 29-42. 2015/ 10.1016/j.saa.2015.02.021. | |
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S Bharanidharan, H Saleem, A Nathiya, A Arokiasamy, V Thanikachalam, "Spectroscopic investigations of (E)-5-(2-phenyldiazenyl)-2-hydroxybenzaldehyde using DFT method.", International Letters of Chemistry, Physics and Astronomy , Volume 60, Number 1, Jan 2015, pp. 168-181. 2015/https://doi.org/10.18052/www.scipress.com/ILCPA.60.168. | |
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N.Ramesh Babu, S.Subashchandrabose, M. Syed Ali Padusha, H.Saleem, V.Manivannan, Y.Erdogdu, "Synthesis and structural characterization of (E)-N-((Pyridin-2-yl)methylene) benzohydrazide by X-ray diffraction, FT-IR, FT-Raman and DFT methods.", Journal of Molecular Structure, Volume 1072, Number 25, Aug 2014, pp. 84-93. 2014/doi.org/10.1016/j.molstruc.2014.04.060. | |
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A Dhandapani, S Manivarman, S Subashchandrabose, H Saleem, "Molecular structure and vibrational analysis on (E)-1-(3-methyl-2, 6-diphenyl piperidin-4-ylidene) semicarbazide.", Journal of Molecular Structure , Volume 1058, Number 24, Jan 2014, pp. 41-50. 2014/https://doi.org/10.1016/j.molstruc.2013.09.052. | |
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N Ramesh Babu, S Subashchandrabose, M Syed Ali Padusha, H Saleem, Y Erdogdu, "Synthesis and spectral characterization of hydrazone derivative of furfural using experimental and DFT methods.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 120, Number 24, Feb 2014, pp. 314-322. 2014/doi.org/10.1016/j.saa.2013.09.089. | |
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S Bharanidharan, H Saleem, B Gunasekaran, MSA Padusha, M Suresh, "Crystal structure of ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1, 2, 3, 4-tetrahydropyrimidine-5-carboxylate.", Acta Crystallographica Section E: Structure Reports Online , Volume 70, Number 11, Nov 2014, pp. 1185-1186. 2014/https://doi.org/10.1107/S1600536814023046. | |
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N.Ramesh Babu, S. Subashchandrabose, M. Syed Ali Padusha, H. Saleem, "Structural and vibrational studies on (E)-1-(4-methoxybenzylidine) semicarbazide (MBSC) usingexperimental and DFT methods.", Indian Journal of Applied Research, Volume 4, Number 4, Apr 2014, pp. 40-45. 2014. | |
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S. Subashchandrabose, C. Meganathan, Y. Erdogdu, H. Saleem, C. Jayakumar, P. Latha, "Vibrational and conformational analysis on-N1-N2-bis ((pyridine-4-yl) methylene) benzene-1, 2-diamine.", Journal of Molecular Structure, Volume 1042, Number 24, Jun 2013, pp. 37-44. 2013/doi.org/10.1016/j.molstruc.2013.03.034. | |
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H Saleem, S Subashchandrabose, Y Erdogdu, V Thanikachalam, J Jayabharathi, "FT-IR, FT-Raman spectral and conformational studies on (E)-2-(2-hydroxybenzylidenamino)-3-(1H-indol-3yl) propionic acid.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 101, Number 15, Jan 2013, pp. 91-99. 2013/doi.org/10.1016/j.saa.2012.09.023. | |
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R Venkateswaramoorthi, JJF Xavier, K Krishnasamy, H Saleem., "Synthesis, spectral characterization, single crystal and conformational study of 1, 5-dimethyl-2, 4-diphenyl-3-azabicyclo [3.3. 1] nonan-9-one derivatives.", Journal of Molecular Structure , Volume 1012, Number 28, Mar 2012, pp. 119-125. 2012/https://doi.org/10.1016/j.molstruc.2011.12.045. | |
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S Subashchandrabose, H Saleem, Y Erdogdu, O. Dereli, V Thanikachalam, J Jayabharathi, "Structural, vibrational and hyperpolarizability calculation of (E)-2-(2-hydroxybenzylideneamino)-3-methylbutanoic acid.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 86, Number -, Feb 2012, pp. 231-241. 2012/doi.org/10.1016/j.saa.2011.10.029. | |
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H Saleem, Y Erdogdu, S Subashchandrabose, V Thanikachalam, J Jayabharathi, N Ramesh Babu., "Structural and vibrational studies on (E)-2-(2-hydroxy benzyliden amino)-3-phenyl propionic acid using experimental and DFT methods.", Journal of Molecular Structure , Volume 1030, Number 10, Dec 2012, pp. 157-167. 2012/OI: 10.1016/j.molstruc.2012.04.011. | |
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V Thanikachalam, V Periyanayagasamy, J Jayabharathi, G Manikandan, H Saleem, S Subashchandrabose, Y Erdogdu, "FT-Raman, FT-IR spectral and DFT studies on (E)-1-4-nitrobenzylidenethiocarbonohydrazide.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 87, Number 15, Feb 2012, pp. 86-95. 2012/doi.org/10.1016/j.saa.2011.11.013. | |
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S Subashchandrabose, AR Krishnan, H Saleem, S Kavitha, V Thanikachalam, G Manikandan., "Synthesis and comparison of bis (4-amino-5-mercapto-1, 2, 4-triazol-3-yl) butane using DFT study.", Journal of Molecular Structure , Volume 996, Number 1-3, Jun 2011, pp. 1-11. 2011/. | |
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S Subashchandrabose, H Saleem, Y Erdogdu, G Rajarajan, V Thanikachalam, "FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2, 6-diphenylpiperidin-4-one: DFT method.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 82, Number 1, Nov 2011, pp. 260-269. 2011/https://doi.org/10.1016/j.saa.2011.07.046. | |
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V. Periyanayagasamy, V. Thanikachalam, J. Jayabharathi, G. Manikandan, H. Saleem, S. Subashchandrabose, "FT-IR, FT-Raman and Spectral Investigations of the Non-linear Optical Chromophore (E)-1-benzylidene-thiocarbonohydrazide.", Structural Chemistry Communications, Volume 2, Number 5, Feb 2011, pp. 135-141. 2011. | |
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AR Krishnan, H Saleem, S Subashchandrabose, N Sundaraganesan, S Sebastain ., "Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 78, Number 2, Feb 2011, pp. 582-589. 2011/https://doi.org/10.1016/j.saa.2010.11.027. | |
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S Chandra, H Saleem, S Sebastian, N Sundaraganesan., "The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of l-cysteine by ab inito HF and density functional method.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 78, Number 5, May 2011, pp. 1515-1524. 2011/https://doi.org/10.1016/j.saa.2011.01.043. | |
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H Saleem, AR Krishnan, Y Erdogdu, S Subashchandrabose, V Thanikachalam, G Manikandan., "Density functional theory studies on 2, 5-bis (4-hydroxy-3-methoxybenzylidene) cyclopentanone.", Journal of Molecular Structure , Volume 999, Number 1-3, Jul 2011, pp. 2-9. 2011/https://doi.org/10.1016/j.molstruc.2011.02.039. | |
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S Chandra, H Saleem, Y Erdogdu, S Subashchandrabose, AR Krishnan, MT Gulluoglu. , "FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine.", Journal of Molecular Structure , Volume 998, Number 1-3, Jul 2011, pp. 69-78. 2011/https://doi.org/10.1016/j.molstruc.2011.05.014. | |
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S Subashchandrabose, AR Krishnan, H Saleem, R Parameswari, N Sundaraganesan, V Thanikachalam, G Manikandan, "Vibrational spectroscopic study and NBO analysis on bis (4-amino-5-mercapto-1, 2, 4-triazol-3-yl) methane using DFT method.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 77, Number 4, Nov 2010, pp. 877-884. 2010/https://doi.org/10.1016/j.saa.2010.08.023. | |
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A. R. Krishnan, S. Subashchandrabose, H. Saleem, N. Sundaraganesan, Y. Erdogdu, "Theoretical investigations on the molecular structure, vibrational spectra, infrared, Raman, UV and NMR spectral analysis of 4-Nitrothioanisole.", Structural Chemistry Communications, Volume 1, Number 2, Oct 2010, pp. 56-62. 2010. | |
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S Subashchandrabose, AR Krishnan, H Saleem, V Thanikachalam, G Manikandan, Yusuf Erdogdu., "FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO–LUMO analysis of bis (4-amino-5-mercapto-1, 2, 4-triazol-3-yl) ethane by ab initio HF and DFT methods.", Journal of Molecular Structure , Volume 981, Number 1-3, Sep 2010, pp. 59-70. 2010/https://doi.org/10.1016/j.molstruc.2010.07.025. | |
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J. Jayabharathi, A. Manimekalai, M. Padmavathy, H. Saleem, "Theoretical study on Molecular electrostatic potential surface and thermodynamic properties: Synthesis and characterization of N-Nitroso Oximes.", Structural Chemistry Communications, Volume 1, Number 3, Nov 2010, pp. 84-90. 2010. | |
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SA Siddiqui, A Dwivedi, PK Singh, T Hasan, S Jain, N Sundaraganesan, H Saleem, Neeraj Misra., "Vibrational dynamics and potential energy distribution of two well-known neurotransmitter receptors: tyramine and dopamine hydrochloride.", Journal of Theoretical and Computational Chemistry, Volume 8, Number 3, Jun 2009, pp. 433-450. 2009/https://doi.org/10.1142/S0219633609004861. | |
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J Swaminathan, M Ramalingam, H Saleem, V Sethuraman, MTN Ameen., "FT-IR and FT-Raman vibrational assignment of 2-bromobenzoic acid with the help of ab initio and DFT calculations.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 74, Number 5, May 2009, pp. 1247-1253. 2009/https://doi.org/10.1016/j.saa.2009.09.054. | |
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S Chandra, H Saleem, N Sundaraganesan, S Sebastian., "The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 74, Number 3, Oct 2009, pp. 704-713. 2009/https://doi.org/10.1016/j.saa.2009.07.025. | |
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N Sundaraganesan, B Anand, C Meganathan, BD Joshua, H Saleem., "Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree–Fock and density functional method.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 69, Number 1, Jan 2008, pp. 198-204. 2008/https://doi.org/10.1016/j.saa.2007.03.031. | |
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M Ramalingam, N Sundaraganesan, H Saleem, J Swaminathan., "Experimental (FTIR and FT-Raman) and ab initio and DFT study of vibrational frequencies of 5-amino-2-nitrobenzoic acid.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 71, Number 1, Nov 2008, pp. 23-30. 2008/https://doi.org/10.1016/j.saa.2007.11.016. | |
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N Sundaraganesan, C Meganathan, H Saleem, BD Joshua., "Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-amino-o-cresol N Sundaraganesan, C Meganathan, H Saleem, BD Joshua..", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 68, Number 3, Nov 2007, pp. 619-625. 2007/https://doi.org/10.1016/j.saa.2006.12.036. | |
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N Sundaraganesan, S Ilakiamani, B Anand, H Saleem, B Dominic Joshua, "FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-amino-5-chloropyridine.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 64, Number 3, Jun 2006, pp. 586-594. 2006/doi.org/10.1016/j.saa.2005.07.061. | |
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N Sundaraganesan, H Saleem, S Mohan, M Ramalingam, "FT-Raman and FTIR spectra, assignments and ab initio calculations of 2-aminobenzyl alcohol.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 61, Number 3, Jan 2005, pp. 377-385. 2005/doi.org/10.1016/j.saa.2004.04.012. | |
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N Sundaraganesan, S Ilakiamani, H Saleem, Piotr M Wojciechowski, Danuta Michalska, "FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 61, Number 13-14, Oct 2005, pp. 2995-3001. 2005/https://doi.org/10.1016/j.saa.2004.11.016. | |
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N Sundaraganesan, H Saleem, S Mohan, M Ramalingam, V Sethuraman, "FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-bromo-4-methyl-phenylamine.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , Volume 62, Number 1-3, Nov 2005, pp. 740-751. 2005/https://doi.org/10.1016/j.saa.2005.02.043. | |
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N Sundaraganesan, H Saleem, S Mohan, "Vibrational spectra, assignments and normal coordinate analysis of 3-aminobenzyl alcohol.", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 59, Number 11, Sep 2003, pp. 2511-2517. 2003/doi.org/10.1016/S1386-1425(03)00037-4. | |
