P.S. Manjula

FT-IR, HOMO–LUMO, NBO, MEP analysis and molecular docking study of 3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}1H-1,2,4-triazole-5(4H)-thione

C. Yohannan Panicker, Hema Tresa Varghese, P.S. Manjula et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 52 citations

Engineering, Biochemistry, Mep Analysis +8

Synthesis, spectral (FT-IR, UV-visible, NMR) features, biological activity prediction and theoretical studies of 4-Amino-3-(4-hydroxybenzyl)-1H-1,2,4-triazole-5(4H)-thione and its tautomer

Ambrish Kumar Srivastava, Abhishek Kumar, Neeraj Misra et al. · Journal of Molecular Structure · 2015 · 42 citations

Engineering, Heterocyclic, Biochemistry +5

Conformational analysis and DFT investigations of two triazole derivatives and its halogenated substitution by using spectroscopy, AIM and Molecular docking

Veena S. Kumar, Y. Sheena Mary, Y. Shyma Mary et al. · Chemical Data Collections · 2020 · 20 citations

Inorganic Chemistry, Engineering, Triazole Derivatives +6

Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study

Y. Sheena Mary, Fatmah A. M. Al-Omary, G. Mostafa et al. · Journal of Molecular Structure · 2017 · 13 citations

Materials Science, Derivative (Chemistry), Engineering +4