Items where Subject is "Quantum Mechanics"

Article

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

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

Gnanasambandan, T. and Dhanalakshmi, E. and Selvaraj, Manickam and Abdelmotaleb, Mostafa A.I. and Kathireshan, A.K. and Sivaranjani, G. and Revathi, M. and Venkatesan, K.A. and Rajesh, P. (2024) Degree-based topological indices, quantum computational, molecular docking and biological evaluations of o-nitroacetanilide. Inorganic Chemistry Communications, 169. p. 113021. ISSN 13877003

Hemavathy, S. and G․, SanthanaKrishnan and Sabari Girisun, T.C. and Parthasarathy, M. (2025) Investigation on growth, structural, spectral, DFT, MEP computational studies of novel methyl triphenylphosphonium bromide hydrate single crystal for third-order nonlinear optical limiting applications. Journal of Molecular Structure, 1325. p. 140968. ISSN 00222860

Kayashrini, S. and Rajesh, P. and Dhanalakshmi, E. and Anbarasu, Mariyappillai and Kesavan, M. and Prabhaharan, M. and Mohamed Hisam, R. and Sudha, R. (2025) Quantum chemical analysis and anticancer evaluation of 1, 4-benzenedicarboxylic acid bis (2-ethylhexyl) ester: Topological indices,reduced density gradient, molecular electrostatic potential, natural bond orbital. Indian Journal of Biochemistry & Biophysics, 62.

Kousalya, T. and Vijayalakshmi, D. and Karthikeyan, N. (2025) A Comprehensive Review on the Structure and Visible-Light-Driven Antimicrobial Properties of WO₃/TiO₂/CuO Nanocomposites. IJIRT, 12 (2). ISSN 2349-6002

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

Mandal, Shyamapada and Santhi, B. and Sridhar, S. and Vinolia, K. and Swaminathan, P. (2017) Sensor fault detection in Nuclear Power Plant using statistical methods. Nuclear Engineering and Design, 324. pp. 103-110. ISSN 00295493

Mohanraj, M. and Parthasarathy, M. (2025) A comprehensive evaluation of nonlinear optical materials: Synthesis, growth, spectral, photoluminescence, LDT, photoconductivity, thermal, antibacterial and second harmonic generation analysis. Solid State Communications, 404. p. 116113. ISSN 00381098

Rojviroon, Orawan and Abimannan, Gomathi and Arumugam, Priyadharsan and Palanisamy, Maadeswaran and Rajendran, Ranjith and Ramasamy, Govarthini and Sirivithayapakorn, Sanya and Phetyim, Natacha and Rojviroon, Thammasak (2025) Novel Z-scheme BiOCl/g-C3N4 nanocomposite for high performance photocatalytic degradation of organic pollutants and charge carrier dynamics. Environmental Nanotechnology, Monitoring & Management, 24. p. 101086. ISSN 22151532

Book Section

Kousalya, T. and Vijayalakshmi, D. and Karthikeyan, N. (2025) Wo3/TiO2/CeO2 Nanocomposites, Fabrication Approaches and their Antibacterial and Antifungal Potentials. In: Advancing Technology with Multidisciplinary Innovation for Sustainable Growth (2025). SCIENTIFIC RESEARCH REPORTS. ISBN 978-81-987134-9-0

Modigunta, Jeevan Kumar Reddy and Murali, G. and Park, Young Ho and Udhayakumar, Hariharan and Shanmugharaj, A. M. and Lee, Seung Jun and In, Insik (2024) 2D MXene-Based Electrolytes for All-Solid-State Batteries: Fundamentals and Advances. In: Electrolytes for Energy Storage Applications. CRC Press, Boca Raton, pp. 237-254. ISBN 9781003441182

Vijayalakshmi, D. and Jaiganesh, G. and Umamaheswari, R. and Kalpana, G. (2024) EXPLORING HALF-METALLIC FERROMAGNETISM IN II-IV-V2 CHALCOPYRITE’S FOR SPINTRONIC APPLICATIONS. In: Futuristic Trends in Chemical, Material Sciences & Nano Technology. IIP Series. ISBN 978-93-5747-550-1

Conference or Workshop Item

Ashok, P. and Madhan, M. Ganesh and Gopinath, S. and Premila, T. R. and Janaki, N. (2025) Numerical analysis and optimization of device parameters for external quantum efficiency improvement in quantum cascade lasers. In: 4th National Conference on Communication Systems (NCOCS 2022), 6 September 2023, Kuantan, Pahang, Malaysia.

Book

Raja, M. and Dhanalakshmi, E. and Vijayalakshmi, D. (2024) Spectroscopic and Quantum Calculations on Semicarbazide Derivatives. LAP LAMBERT Academic Publishing. ISBN 9786207488421