Search Results - "Maria Susai, Boobalan"

Biosensitivity and Theoretical Electronic Structure Investigations on 3-(2-Hydroxyphenyl)-2-iminothiazolidin-4-one and Its Zn2+ and Cd2+ Metal Complexes by Gemechu, Zewdu Bezu, Maria Susai, Boobalan, Taddesse, Abi M., Bedada, Endale Teju, Ramamoorthy, R.

“…A two-step cyclocondensation reaction has been carried out using 2-aminophenol with 2-chloroacetyl chloride to produce o-hydroxyphenyl chloroacetamide followed…”
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FT-IR, FT-Raman, UV–Visible, NMR, DFT and molecular docking investigation of 1-(phenyl (piperidin-1-yl) methyl) naphthalene-2-ol by Rajamani, P., Vijayakumar, V., Sundaraganesan, N., Jeeva, Mani, Susai Boobalan, Maria

“…•The target molecule 1-(phenyl (piperidin-1-yl) methyl) naphthalene-2-ol was synthesized and characterized using UV visible, FT-IR, NMR, TG/DSC and…”
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Adsorption and anticorrosion behavior of 1-((pyridin-2-ylamino)(pyridin-4-yl)methyl)pyrrolidine-2,5-dione on mild steel surface in hydrochloric acid solution by Jeeva, Mani, Boobalan, Maria susai, Prabhu, G. Venkatesa

“…New Mannich base 1-((pyridin-2-ylamino)(pyridin-4-yl)methyl)pyrrolidine-2,5-dione (SAP) was synthesized, characterized, and investigated as a corrosion…”
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Crystallography and computational electronic structure investigations on 14-(3, 4, 5-trimethoxyphenyl)-14H-dibenzo[a,j]xanthene by Anandhan, Karnambaram, Susai Boobalan, Maria, Venkatesan, Perumal, Ilangovan, Andivelu, Kaushik, Mahabir Prasad, Arunagiri, Chidambaram

“…[Display omitted] •Crystal structure of 14-(3, 4, 5-trimethoxyphenyl)-14H-dibenzo[a,j]xanthene was resolved.•Hirshfeld surface analysis has been carried…”
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Spectra, Electronic Structure of 2-Vinyl Naphthalene and Their Oligomeric Scaffold Models: A Quantum Chemical Investigation by Susairaj, Jone Pradeepa, Kaya, Savaş, Ramamoorthy, R., Teju, Endale, Maria Susai, Boobalan

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Vibrational and structural observations upon 3-((1H-benzo[d]imidazol-1-yl)methyl)naphthalen-2-ol from spectral and DFT computing approaches by Jone Pradeepa, S., Tamilvendan, D., Susai Boobalan, Maria, Sundaraganesan, N.

“…An aggregate of experimental and computational study on synthesis, molecular structure, vibrational, electronic, nuclear magnetic resonance spectra, electronic…”
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Novel chemosensor for multiple target anions: The detection of F− and CN− ion via different approach by Udhayakumari, Duraisamy, Velmathi, Sivan, Boobalan, Maria Susai

“…A novel chemosensor based on azo linked Schiff base (receptor 1) was synthesized by simple condensation method. The sensor studies of receptor 1 disclose the…”
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Investigation on growth, structural, characterization and DFT computing of imidazolium 3-nitrobenzoate (I3NB) single crystal – Towards third order nonlinear optical applications by Elangovan, K., Boobalan, Maria Susai, Senthil, A., Vinitha, G.

“…Optically good quality organic single crystals of imidazolium 3-nitrobenzoate (I3NB) have been grown by slow evaporation solution technique (SEST). The I3NB…”
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Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl by Jeeva, Mani, Prabhu, G. Venkatesa, Boobalan, Maria susai, Rajesh, Chinnaiyan Mahalingam

“…Cost-effective new Mannich bases 1-(pyridin-4-yl­(pyrrolidin-1-yl)­methyl)­urea (UPyP), 1-(morpholino­(pyridin-4-yl)­methyl)­urea (UMP), and…”
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Molecular design, electronic structure and optoelectronic properties of vinyl fused monomeric and oligomeric benzothiazoles—A theoretical investigation by Adose, Mechalu Abebe, Bedada, Endale Teju, Ramamoorthy, R., Ramalingam, S., Taddesse, Ephrem, Susai, Boobalan Maria

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Spectral (FT-IR, FT-Raman, NMR, UV–vis), electronic structure (DFT, TD-DFT), and molecular docking investigations on 1-((1H-benzo[d]imidazol-1-yl)methyl)urea – A bioactive Mannich base system by Sumithra, M, Jone Pradeepa, Susairaj, Tamilvendan, D, Boobalan, Maria Susai, Sundaraganesan, N

“…[Display omitted] •Rotamer, Tautomer and its mechanistic path has been studied theoretically.Eqn 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16 and…”
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Investigation on spectra (UV–Vis, vibrational, NMR, HRMS), electronic structure (DFT calculations), molecular docking and antidiabetic activity of N-((benzo[d]thiazol-2-ylthio)methyl)-N-cyclohexylcyclohexanamine – A Mannich base by Devi, Krishnan Sarojini, Subramani, Palaniappan, Sundaraganesan, Namadevan, Boobalan, Maria Susai, Tamilvendan, Dhanapal

“…A new Mannich base molecule of N-((benzo[d]thiazol-2-ylthio)methyl)-N-cyclohexylcyclohexanamine (ICF) has been synthesized and spectroscopic characterization…”
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Are vinyl coupled furan derivatives better than vinyl coupled thiophene derivatives for optoelectronic applications? – Answers from DFT/TDDFT calculations by Gajalakshmi, Duraikannu, Boobalan, Maria Susai, Vijay Solomon, Rajadurai, Tamilmani, Venkatachalam

“…[Display omitted] •Comparison of structural features of vinyl coupled furan oligomers (VCFOs) with their thiophene derivatives (VCTOs)•Effect of substitution…”
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Synthesis, spectroscopic, computational and molecular docking studies of 1-(pyridin-2-yl amino)methyl napthalene-2-ol by Rajamani, P., Sundaraganesan, N., Vijayakumar, V., Boobalan, Maria Susai, Jeeva, Mani

“…A simple Mannich condensation reaction furnished 1-(pyridin-2-yl amino)methyl napthalene-2-ol using 2-aminopyridine, naphthalene-2-ol and formaldehyde as…”
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Dual fluorescence emission of p-N,N-(dialkylamino) benzyl-idenemalononitrile and related systems: Evidence for direct excitation of ground state twisted intramolecular charge transfer (TICT) conformer by G. Woldegiorgis, Desta, T. Mengesha, Ephriem, Babu G., Neelaiah, Susai Boobalan, Maria, B. Demissie, Taye, Teju, Endale

“…The mechanism of dual fluorescence emission of a fluorophore is controversial ever since its first observation in p-N,N-dimethylaminobenzonitrile (DMABN)…”
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DUAL FLUORESCENCE EMISSION OF p-N,N- CONFORMER by Woldegiorgis, Desta G, Mengesha, Ephriem T, Neelaiah, Babu G, Boobalan, Maria Susai, Demissie, Taye B, Teju, Endale

“…The mechanism of dual fluorescence emission of a fluorophore is controversial ever since its first observation in p-N,N-dimethylaminobenzonitrile (DMABN)…”
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Crystal growth and DFT insight on sodium para-nitrophenolate para-nitrophenol dihydrate single crystal for NLO applications by Selvakumar, S., Boobalan, Maria Susai, Anthuvan Babu, S., Ramalingam, S., Leo Rajesh, A.

“…Single crystals of sodium para-nitrophenolate para-nitrophenol dihydrate (SPPD) were grown by slow evaporation technique and its structure has been studied by…”
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Theoretical investigations on electronic structure and optoelectronic properties of vinyl fused monomeric and oligomeric benzimidazole derivatives using DFT and TDDFT techniques by Ahmed, Reshad Bushra, Susai, Boobalan Maria, Sadasivuni, Kishore Kumar, Babu, G. Neelaiah, Susairaj, Jone Pradeepa, Ramamoorthy, R., Muruganandam, L.

“…Context The present work encompasses the theoretical investigation of 14 benzimidazole-based (seven vinyl fused monomeric benzimidazole (VFMBI) and seven vinyl…”
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Spectra, electronic structure and molecular docking investigations on 3-(phenyl(p-tolylamino)methyl)naphthalen-2-ol – An experimental and computational approach by Pradeepa, S. Jone, Boobalan, Maria Susai, Tamilvendan, D., Sundaraganesan, N., Sebastian, S., Qian, Kun

“…A combined experimental and theoretical study on synthesis, molecular structure, vibrational analysis, natural bond orbitals, electronic structure,…”
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Synthesis, characterization, in silico molecular modeling, anti-diabetic and antimicrobial screening of novel 1-aryl-N-tosyl-1H-tetrazole-5-carboxamide derivatives by Selvarasu, Sekar, Srinivasan, Pazhamalai, Mannathusamy, Gopalakrishnan, Maria Susai, Boobalan

“…•A novel class of 1-aryl-N-tosyl-1H-tetrazole-5-carboxamide derivatives (12 Candidates) was synthesized.•FT-IR, 1H NMR, 13C NMR, elemental and mass…”
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