| In silico investigation of phytoconstituents of medicinal herb ‘Piper Longum’ against SARS-CoV-2 by molecular docking and molecular dynamics analysis ShradhaLakhera, K Devlal, A Ghosh, M Rana Results in Chemistry 3, 100199, 2021 | 46 | 2021 |
| Modelling the DFT structural and reactivity study of feverfew and evaluation of its potential antiviral activity against COVID-19 using molecular docking and MD simulations S Lakhera, K Devlal, A Ghosh, P Chowdhury, M Rana Chemical Papers 76 (5), 2759-2776, 2022 | 38 | 2022 |
| Investigation of nonlinear optical (NLO) properties by charge transfer contributions of amine functionalized tetraphenylethylene M Rana, N Singla, A Chatterjee, A Shukla, P Chowdhury Optical Materials 62, 80-89, 2016 | 37 | 2016 |
| Glutathione capped core/shell CdSeS/ZnS quantum dots as a medical imaging tool for cancer cells M Rana, A Jain, V Rani, P Chowdhury Inorganic Chemistry Communications 112, 107723, 2020 | 35 | 2020 |
| L-glutathione capped CdSeS/ZnS quantum dot sensor for the detection of environmentally hazardous metal ions PC Meenakshi Rana Journal of Luminescence 206, 105, 2019 | 34 | 2019 |
| DFT and MD Simulation Investigation of Favipiravir as an Emerging Antiviral Option against Viral Protease (3CLpro) of SARS-CoV-2 PC Pooja, Meenakshi Rana Journal of molecular structure, 2021 | 33 | 2021 |
| A comprehensive exploration of pharmacological properties, bioactivities and inhibitory potentiality of luteolin from Tridax procumbens as anticancer drug by in-silico approach S Lakhera, M Rana, K Devlal, I Celik, R Yadav Structural chemistry 33 (3), 703-719, 2022 | 23 | 2022 |
| Study of nonlinear optical responses of phytochemicals of Clitoria ternatea by quantum mechanical approach and investigation of their anti-Alzheimer activity with … S Lakhera, K Devlal, M Rana, I Celik Structural Chemistry 34 (2), 439-454, 2023 | 20 | 2023 |
| Modeling the DFT structural and reactivity studies of a pyrimidine-6-carboxylate derivative with reference to its wavefunction-dependent, MD simulations and evaluation for … M Smitha, YS Mary, YS Mary, G Serdaroglu, P Chowdhury, M Rana, ... Journal of Molecular Structure 1237, 130397, 2021 | 20 | 2021 |
| Vibrational-electronic properties of intra/inter molecular hydrogen bonded heterocyclic dimer: an experimental and theoretical study of pyrrole-2-carboxaldehyde M Rana, N Singla, A Pathak, R Dhanya, C Narayana, P Chowdhury Vibrational Spectroscopy 89, 16-25, 2017 | 20 | 2017 |
| Influence of Adsorption of Gold and Silver Nanoclusters on Structural, Electronic, and Nonlinear optical properties of Pentacene-5, 12-dione: A DFT study S Lakhera, M Rana, K Devlal Optical and Quantum Electronics 55 (2), 178, 2023 | 17 | 2023 |
| Quantum mechanical study of three aromatic bioactive fatty alcohol compounds with nonlinear optical and potential light harvesting properties S Lakhera, K Devlal, M Rana, V Dhuliya Optical Materials 129, 112476, 2022 | 16 | 2022 |
| Theoretical study on spectral and optical properties of essential amino acids: a comparative study S Lakhera, M Rana, K Devlal Optical and Quantum Electronics 54 (11), 714, 2022 | 14 | 2022 |
| Computational study of the intermolecular interactions and their effect on the UV-visible spectra of the ternary liquid mixture of benzene, ethanol and propylene glycol PAHT Hema, Tara Bhatt, Tarun Pant, Charu Ch. Dhondiyal, Meenakshi Rana ... Journal of Molecular Modeling 26 (268), 2020 | 14 | 2020 |
| “Turn on/off” proton transfer based fluorescent sensor for selective detection of environmentally hazardous metal ions (Zn2+, Pb2+) in aqueous media N Singla, A Tripathi, M Rana, SK Goswami, A Pathak, P Chowdhury Journal of Luminescence 165, 46-55, 2015 | 14 | 2015 |
| Computational study of non-linear optical and electrical properties of 1, 3-dinitropyrene S Lakhera, M Rana, K Devlal, V Dhuliya Optical and Quantum Electronics 55 (1), 85, 2023 | 13 | 2023 |
| Investigation of nonlinear optical properties of organic based di amine substituted tetraphenylethylene PC Meenakshi Rana AIP Conference Proceedings 2009, 020055, 2018 | 13 | 2018 |
| Photovoltaic characteristics of organic heterocyclic 2, 9-dimethyl quinacridone in different solvents using DFT approach S Lakhera, M Rana, K Devlal, N Kanagathara, J Janczak Journal of Photochemistry and Photobiology A: Chemistry 441, 114664, 2023 | 12 | 2023 |
| Nonlinear optical responses of organic based indole derivative: an experimental and computational study M Rana, P Chowdhury Materials Today: Proceedings 28, 241-245, 2020 | 12 | 2020 |
| Effects of hydrogen bonding between pyrrole-2-carboxaldehyde and nearest polar and nonpolar environment M Rana, P Chowdhury Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 185, 198-206, 2017 | 11 | 2017 |
PAPIA CHOWDHURYProfessor, Jaypee Institute of Information Technology在 jiit.ac.in 的电子邮件经过验证
