Items where Subject is "Quantum Mechanics"

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Ezhilan, Saritha and Rajesh, P. and Suresh, S. and Pradhabhan, D. (2024) Green synthesis, molecular structure, spectroscopic, ADME, DFT and molecular docking studies on methyl 10-trans,12-cis-octadecadienoate. Journal of Molecular Structure, 1300. p. 137164. ISSN 00222860

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Gajendiran, J. and Raj, S. Gokul and Kumar, G. Ramesh and Gnanam, S. and Ramya, J. Ramana and Senthil, V. P. (2022) Photoluminescence Properties and Antibacterial Activity of BiFeO3 and BiFeO3-CoFe2O4 Composite. Journal of Electronic Materials, 51 (1). pp. 8-16. ISSN 0361-5235

Gnanam, S. and Ashokkumar, R. and Udhayashankar, C. and Karthikeyan, S. and Dhinagaran, G. and Venkatachalam, K. (2019) STUDY OF AGGREGATION BEHAVIOR AND ELECTRON INJECTION PROCESS OF THIOL SUBSTITUTED ZnPHTHALOCYANINE DERIVATIVE ON TIO2 NANOPARTICLE SURFACE. Rasayan Journal of Chemistry, 12 (02). pp. 571-576. ISSN 09741496

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Lawrence, M. and Rajesh, P. and Irfan, Ahmad and Muthu, S. (2024) Importance of solvent roles in molecular, electronic and dynamical properties, thermodynamic quantities, Mulliken charges, reactive analysis and molecular docking of 2-Bromo-1H-imidazole-4,5-dicarbonitrile. Journal of Molecular Liquids, 388. p. 122744. ISSN 01677322

Lawrence, M. and Rajesh, P. and Saral, A. and Jeyakumar, Thayalaraj Christopher and Alharbi, Naiyf S. and Abbas, Ghulam and Muthu, S. (2024) Solute solvent interaction study on 9,9-dihydroxynanoic acid by DFT, IR, Raman, UV, MEP, quantum parameters and docking studies. Journal of Molecular Liquids, 397. p. 124053. ISSN 01677322