K.S. Resmi

Two neoteric pyrazole compounds as potential anti-cancer agents: Synthesis, electronic structure, physico-chemical properties and docking analysis

Renjith Thomas, Y. Sheena Mary, K.S. Resmi et al. · Journal of Molecular Structure · 2019 · 97 citations

Combinatorial Chemistry, Medicinal Chemistry, Engineering +11

Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, a potential precursor to bioactive agents

Reem I. Al-Wabli, K.S. Resmi, Y. Sheena Mary et al. · Journal of Molecular Structure · 2016 · 81 citations

Medicinal Chemistry, Biochemistry, Natural Sciences +9

Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

Renjith Thomas, Y. Sheena Mary, K.S. Resmi et al. · Journal of Molecular Structure · 2019 · 77 citations

Combinatorial Chemistry, Detailed Computational Evaluation, Medicinal Chemistry +12

Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

Renjith Thomas, Mossaraf Hossain, Y. Sheena Mary et al. · Journal of Molecular Structure · 2018 · 69 citations

Imidazole Derivatives, Engineering, Reactive Properties +7

Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

Mossaraf Hossain, Renjith Thomas, Y. Sheena Mary et al. · Journal of Molecular Structure · 2018 · 65 citations

Imidazole Derivatives, Computational Study, Engineering +7