Reenu Reenu

Computational investigation of bioactive 2,3-diaryl quinolines using DFT method: FT- IR, NMR spectra, NBO, NLO, HOMO-LUMO transitions, and quantum-chemical properties

Shashi Janeoo, Reenu Reenu, Amandeep Saroa et al. · Journal of Molecular Structure · 2021 · 78 citations

Combinatorial Chemistry, Medicinal Chemistry, Quantum-chemical Properties +9

Exploring the role of quantum chemical descriptors in modeling acute toxicity of diverse chemicals to Daphnia magna

Reenu Reenu, Vikas Vikas · Journal of Molecular Graphics and Modelling · 2015 · 43 citations

Environmental Chemistry, Ecotoxicity, Chemical Safety +15

Does electron-correlation has any role in the quantitative structure–activity relationships?

Vikas Vikas, Reenu Reenu, Chayawan Chayawan · Journal of Molecular Graphics and Modelling · 2013 · 32 citations

Electron Density, Engineering, Electron Spectroscopy +7

Electron-correlation based externally predictive QSARs for mutagenicity of nitrated-PAHs in Salmonella typhimurium TA100

Reenu Reenu, Vikas Vikas · Ecotoxicology and Environmental Safety · 2014 · 31 citations

Biochemistry, Reactive Nitrogen Specie, Natural Sciences +6

Role of exchange and correlation in the real external prediction of mutagenicity: performance of hybrid and meta-hybrid exchange–correlation functionals

Reenu Reenu, Vikas Vikas · RSC Advances · 2015 · 17 citations

Engineering, Molecular Biology, Computational Chemistry +20