Improved solubility and bioactivity of theophylline (a bronchodilator drug) through its new nitrate salt analysed by experimental and theoretical approaches LM Novena, SS Kumar, S Athimoolam Journal of Molecular Structure 1116, 45-55, 2016 | 41 | 2016 |
Single crystal, vibrational and computational studies of Theophylline (a bronchodilator drug) and its chloride salt LM Novena, SS Kumar, S Athimoolam, K Saminathan, B Sridhar Journal of Molecular Structure 1133, 294-306, 2017 | 19 | 2017 |
Synthesis, crystal structure, hirshfeld surface analysis, spectral and quantum chemical studies of pharmaceutical cocrystals of a bronchodilator drug (Theophylline) LM Novena, S Athimoolam, R Anitha, SA Bahadur Journal of Molecular Structure 1249, 131585, 2022 | 18 | 2022 |
A DFT study on structural and bonding analysis of transition-metal carbonyls [M (CO) 4] with terminal silicon chalcogenides complexes [M (CO) 3SiX](M= Ni, Pd, and Pt; X= O, S … P Vetri, F Paularokiadoss, CA Celaya, LM Novena, JM Thomas, ... Computational and Theoretical Chemistry 1226, 114214, 2023 | 11 | 2023 |
Single crystal XRD, hirshfeld surface, vibrational and thermal studies on a new zwitterionic co-crystal of vitaminB3 (nicotinic acid) MM Latha, LM Novena, S Athimoolam, B Sridhar Journal of Molecular Structure 1205, 127578, 2020 | 5 | 2020 |
Understanding the electronic structure of the alkaloid in scorpion venom through drug adsorption and molecular docking studies on COVID-19 proteins AV Ilavarasi, F Paularokiadoss, LM Novena, T Pooventhiran, S Erkan, ... Chemical Physics Impact 7, 100289, 2023 | 4 | 2023 |