Search Results - "Shanmugavadivu, T."

Ligand based pharmacophoric modelling and docking of bioactive pyrazolium 3-nitrophthalate (P3NP) on Bacillus subtilis, Aspergillus fumigatus and Aspergillus niger — Computational and Hirshfeld surface analysis by Balachandar, S., Sethuram, M., Muthuraja, P., Shanmugavadivu, T., Dhandapani, M.

“…Biologically active Lewis acid-base compound, pyrazolium 3-nitro phthalate (P3NP) has been synthesized and crystallized by slow evaporation - solution method…”
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Crystal structure, spectral, thermal, optical, laser damage, NLO study and quantum chemical calculations of a noncentrosymmetric crystal N, N′-diphenylguanidinium p-toluenesulphonate by Shanmugavadivu, T., Dhandapani, M.

“…A novel NLO active crystal diphenylguanidinium p-toluenesulphonate (DPGPTS) single crystals were grown successfully by slow-evaporation solution growth…”
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Quantum chemical calculations, structural, spectral and nonlinear optical investigations of a novel crystal N,N ′-diphenylguanidinium 3,5-dichlorobenzoate by Shanmugavadivu, T., Dhandapani, M., Vinitha, G., Beaula, T. Joselin

“…A proton transfer crystal, N,N′ -diphenylguanidinium 3,5-dichlorobenzoate (DPGCB), was synthesized, and single crystals were grown using the slow evaporation…”
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Single crystal X-ray diffraction and Hirshfeld surface analyses of supramolecular assemblies in certain hydrogen bonded heterocyclic organic crystals by Muthuraja, P., Sethuram, M., Shanmugavadivu, T., Dhandapani, M.

“…A set of four nitrogen containing heterocyclic organic compounds was synthesised in which enormous non-covalent interactions along with intensive hydrogen…”
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Theoretical and experimental evaluation of a new organic proton transfer crystal aminoguanidinium p-nitrobenzoate monohydrate for optical limiting applications by Shanmugavadivu, T., Senthilkumar, K., Dhandapani, M., Muthuraja, P., Balachandar, S., Sethu Raman, M.

“…Aminoguanidinium p-nitrobenzoate monohydrate (AGPNB), an organic third order nonlinear crystal, was successfully grown by the slow evaporation technique…”
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Structural, computational and Hirshfeld surface analysis of a proton transfer crystal, amino (2-(propan-2-ylidene) hydrazinyl) methaniminium picrate by Shanmugavadivu, T., Balachandar, S., Muthuraja, P., Dhandapani, M.

“…Single crystals of amino (2-(propan-2-ylidene) hydrazinyl) methaniminium picrate (APHMP) were grown and crystallized at room temperature by slow…”
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Hydrogen bonded R22(8) graph set in inducing charge transfer mechanism in guanidinium-3,5-dinitrobenzoate: A combined experimental, theoretical and Hirshfeld surface study by Muthuraja, P., Joselin Beaula, T., Shanmugavadivu, T., Bena Jothy, V., Dhandapani, M.

“…A supramolecular crystal, guanidinium-3,5-dinitrobenzoate (GDNB), was synthesised and its structure was confirmed by single crystal X-ray diffraction at 25 °C…”
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Influence of intramolecular hydrogen bonding interaction on the molecular properties of N-p-tolyl-5-oxo pyrrolidine-3-carboxylic acid: A theoretical and experimental study by Muthuraja, P., Shanmugavadivu, T., Joselin Beaula, T., Bena Jothy, V., Dhandapani, M.

“…[Display omitted] •The structure of TOPCA was optimised by DFT methods.•Electrostatic potential, CHELPG and NBO analyses were carried out.•Intramolecular…”
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Experimental and theoretical investigations of a proton transfer supramolecular adduct, aminoguanidinium p-nitrophenolate: p-nitrophenol by Shanmugavadivu, T., Dhandapani, M., Joselin Beaula, T.

“…Single crystals of aminoguanidinium p-nitrophenolate: p-nitrophenol (AGPNP) were grown by slow-evaporation method and the crystal structure of AGPNP was…”
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Synthesis and Characterization of Chitosan with Silica (CS) Nanocomposite with Enhanced Antibacterial Activity by Bhuvaneswari P, Shanmugavadivu T, Sabeena G, Annadurai G, Sindhuja E

“…A mixture of nanocomposite material has been obtained by in situ formations of an inorganic network in the presence of a preformed organic polymer. Chitosan…”
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Supramolecularassemblies through hydrogen bonding and Br…Onitro interactions in 4-bromoanilinium 2,4-dinitrobenzoate crystals by Aparna, V.S., Muthuraja, P., Shanmugavadivu, T., Sethuram, M., Dhandapani, M.

“…An organic crystal, 4-bromoanilinium 2,4-dinitrobenzoate (BDNB), was synthesized and crystallized by slow evaporation method. The formation of the compound was…”
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Synthesis, structural and spectral characterization of a novel NLO crystal N,N′-diphenylguanidinium picrate: diacetone solvate by Shanmugavadivu, T., Dhandapani, M., Naveen, S., Lokanath, N.K.

“…An organic NLO active material N,N′-diphenylguanidinium picrate: diacetone solvate (C13H14N3+. C6H2N3O7−. 2C3H6O) (DPGPD) was synthesized and single crystals…”
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Hydrogen bonded R 2 2 ( 8 ) graph set in inducing charge transfer mechanism in guanidinium-3,5-dinitrobenzoate: A combined experimental, theoretical and Hirshfeld surface study by Muthuraja, P., Joselin Beaula, T., Shanmugavadivu, T., Bena Jothy, V., Dhandapani, M.

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