L. Mary Novena

Improved solubility and bioactivity of theophylline (a bronchodilator drug) through its new nitrate salt analysed by experimental and theoretical approaches

L. Mary Novena, Suresh Kumar, S. Athimoolam · Journal of Molecular Structure · 2016 · 58 citations

Pharmacy, Medicinal Chemistry, Pharmacology +12

Synthesis, crystal structure, hirshfeld surface analysis, spectral and quantum chemical studies of pharmaceutical cocrystals of a bronchodilator drug (Theophylline)

L. Mary Novena, S. Athimoolam, R. Anitha et al. · Journal of Molecular Structure · 2021 · 27 citations

Natural Sciences, Chemistry, Pharmacology +17

Single crystal, vibrational and computational studies of Theophylline (a bronchodilator drug) and its chloride salt

L. Mary Novena, Suresh Kumar, S. Athimoolam et al. · Journal of Molecular Structure · 2016 · 20 citations

Natural Sciences, Chemistry, Pharmacology +16

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, Se, and Te)

Palani Vetri, Francisxavier Paularokiadoss, Christian A. Celaya et al. · Computational and Theoretical Chemistry · 2023 · 17 citations

Natural Sciences, Chemistry, Materials Science +14