Structural, electronic, intermolecular interaction, reactivity, vibrational spectroscopy, charge transfer, Hirshfeld surface analysis, pharmacological and hydropathy plot on 5-Brom... by Sravanthi R, S. Mahalakshmi, S. Kumaran, Shine Kadaikunnan, Ghulam Abbas, S. Muthu

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Molecular structure, different solvents interaction, thermodynamic, electronic, topological, and chemical behaviors of cis-2,6-dimethylpiperazin- anti depression agent by S. Gayathri, M. Saravanakumar, R. Rajesh, S. Sakthivel, A. Manikandan, K. Venkata Prasad, S. Muthu, Saleem Javed

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Photocatalytic degradation of acid violet dye by sunlight exposure using green synthesized magnesium oxide nanoparticles by Geetha Malini Palani Singaram, Rani Selvaraj

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Chemical reactivity, solvent effects, spectroscopic (FTIR, Raman, SERS, UV–Visible), Hirshfeld analyses and antimalarial investigation of 3-Acetylbenzoic acid by G. Vijayakumari, N. Iyandurai, M. Raja, V. Vetrivelan, A. Thamarai, Saleem Javed, S. Muthu

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Molecular docking and dynamic simulations of 2-phenoxyaniline and quantum computational, spectroscopic, DFT/TDDFT investigation of electronic states in various solvents by Manoj Kumar, Seraj Ahmad, Km. Garima, Akram Ali, Himanshu Arora, S. Muthu, A. Saral, Akhilesh Kumar, Mohd Afzal, Saleem Javed

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Synthesis of Er2O3 blended CeO2 nanocomposites and investigation of their biomedical applications by Sathyaseelan Balaraman, Baskaran Iruson, Senthilnathan Krishnmoorthy, Manikandan Elayaperumal, Sambasivam Sangaraju

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Adsorption behavior, different green solvent effect and surface enhanced Raman spectra (SERS) investigation on inhibition of SARS-CoV-2 by antineoplastic drug Carmofur with silver/... by G.F. Nivetha, V. Vetrivelan, S. Muthu, M. Prasath

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Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4,6-dichloro-2-(propylthio) pyrimidine - anticancer agent by M. Sumithra, N. Sundaraganesan, R. Rajesh, V. Vetrivelan, V. Ilangovan, Saleem Javed, S. Muthu

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Quantum Computational, Molecular structure interaction, Bonding, Spectral and Hiershfeld surface analysis of -2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose-Anti-Hematol... by K. Vedhapriya, G. Balaji, S. Sakthivel, Saleem Javed, M. Thirunavukkarasu, S. Muthu

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Surface enhanced Raman scattering investigation of tecovirimat on silver, gold and platinum loaded silica nanocomposites: Theoretical analysis (DFT) and molecular modeling by Nivetha G F, Vetrivelan V, Govindammal M, Muthu S, Prasath M

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Vibrational spectra, molecular level solvent interaction, stabilization, donor- acceptor energies, thermodynamic, non-covalent interaction and electronic behaviors of 6-Methoxyisoq... by A. Saral, A. Manikandan, Saleem Javed, S. Muthu

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Computational analysis of anti-cancer drug hydroxyurea adsorption on nanocages of gold, silver and copper: SERS and DFT assessment by S. Kumaran, V. Vetrivelan, S. Muthu, Abdulaziz A. Al-Saadi

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Theoretical investigations into the Spectrophotometrically Analyzed Niobium (V)-6-Chloro-3-hydroxy-7-methyl-2-(2’-thienyl)-4H-chromen-4-one Complex by Dhonchak Chetna, Agnihotri Nivedita, Azam Mohammad, Javed Saleem, Muthu Sambantham, Al-Resayes Saud I, Min Kim

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Quantum chemical computations on molecular composition, spectroscopic properties, topology exploration, NLO, ligand protein interactions and pharmacokinetic evaluation of 8-hydroxy... by A. Herlin Shamina, Vadivelan Ganesan, V. Bena Jothy, A. Manikandan, S. Muthu, Saleem Javed

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Structural (monomer and dimer), spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and solvent effect (polar and nonpolar) studies of 2‑methoxy-4-vinyl phenol by P. Rajkumar, S. Selvaraj, P. Anthoniammal, A. Ram Kumar, K. Kasthuri, S. Kumaresan

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Molecular structure, electronic, topology and non-covalent interaction of 4-(Bis(2-chloroethyl)amino)-L-phenylalanine- Anti-blood cancer activity by K. Parveen Begaum, T. Prabhu, M. Thirunavukkarasu, P. Sangeetha, Saleem Javed, Jamal M. Khaled, Ghulam Abbas, S. Muthu

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Optical, electrical and thermal investigations on brucinium di-hydrogen citrate tri-hydrate single crystal: An optimistic tool for microelectronics, OPO and OLED applications by S. Kandhan, T. Sivaranjani, P. Krishnan, P. Jayaprakash, K. Sakthi Murugesan

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Synthesis, crystal structure, DFT, Hirshfeld surface, 3D energy frameworks analysis and molecular docking of pyrimidine derivative: A theoretical and experimental approach by Aysha Fatima, Ghazala Khanum, Nazia Siddiqui, S. Muthu, Mohd Afzal, R.J. Butcher, Sanjay Kumar Srivastava, Saleem Javed

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Photocatalytic dye degradation properties of Zinc Copper Ferrites nanoparticles by Arthur Charles Prabakar, Balaraman Sathyaseelan, Govindarasu Killivalavan, Baskaran Iruson, Krishnamoorthy Senthilnathan, Elayaperumal Manikandan, Dhananjayan Sivakumar

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Molecular structure, UV–Visible spectra and other molecular properties of (E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazinecarbothioamide and its n-methyl variant by using DFT method... by K. Srishailam, L. Ravindranath, Gaddam. Ramesh, D. Praveena, Sunil kumar V, Danikonda.Suresh Kumar, S. Muthu, G.Ramana Rao

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