Items where Author is "Lawrence, M."

Article

Prabhu, C. and Rajesh, P. and Lawrence, M. and Sahaya Jude Dhas, S. and Almansour, Abdulrahman I. (2024) Computational aspects of DFT, HOMO-LUMO, PED, molecular docking and basic characterisations of Octadec-9-Enoic Acid (C 18 H 34 O 2 ). Molecular Physics. ISSN 0026-8976

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 Vimala, M. and Girija, R. and Sahaya Jude Dhas, S. (2024) Synthesis and spectroscopic investigation of N-allyl-N-ethylformamide: computational aspects of DFT, molecular docking and drug-likeness analyses. Molecular Physics, 122 (6). ISSN 0026-8976

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

Lawrence, M. and Rajesh, P. and Thirunavukkarasu, M. and Muthu, S. (2023) Solute-solvent interactions, electrostatic & covalent surface analysis, and pharmacokinetic studies via in-silico simulation on diethyl 3-hydroxyglutarate: Anti-hypercholesterolemia activity. Journal of Molecular Liquids, 382. p. 121940. ISSN 01677322

Lawrence, M. and Paulraj, E. Isac and Rajesh, P. (2023) Spectroscopic characterization, electronic transitions and pharmacodynamic analysis of 1-Phenyl-1,3-butanedione: An effective agent for antipsychotic activity. Chemical Physics Impact, 6. p. 100226. ISSN 26670224