| 1 |
Phosphorus corroles: Synthesis and applications |
Kubba R., Jyoti, Yadav O., Kumar A. |
Journal of Molecular Structure |
2024 |
| 2 |
Study the solubility of pharmaceutical ingredients and their eutectic mixtures: An in-depth density functional theory and molecular dynamics simulations approaches |
Aslam M., Pandey G., Deshwal N., Kumar A., Kumari K., Bahadur I., Singh P., Mohammad F., Abdullah Soleiman A. |
Journal of Molecular Liquids |
2024 |
| 3 |
A Theoretical Study To Understand the Impact of Mpro of nCoV on the Hormones |
Babu Singh M., Himani, Yadav S., Singh P. |
ChemistrySelect |
2024 |
| 4 |
A review on the synthesis and application of naphthoquinone-based drugs |
Khan J., Rani A., Aslam M., Pandey G., Nand Pant B. |
Results in Chemistry |
2023 |
| 5 |
Binding Study of Antibacterial Drug Ciprofloxacin with Imidazolium-Based Ionic Liquids Having Different Halide Anions: A Spectroscopic and Density Functional Theory Analysis |
Siddiquee A., Parray Z., Anand A., Tasneem S., Hasan N., Alamier W.M., Ageeli A.A., Wani F.A., Singh P., Patel R. |
ACS Omega |
2023 |
| 6 |
Imidazolium-Based Ionic Liquid-Assisted Silver Nanoparticles and Their Antibacterial Activity: Experimental and Density Functional Theory Studies |
Avirdi E., Paumo H.K., Kamdem B.P., Singh M.B., Kumari K., Katata-Seru L., Bahadur I. |
ACS Omega |
2023 |
| 7 |
Adsorption of pesticides using graphene oxide through computational and experimental approach |
Kumari K., Singh M.B., Tomar N., Kumar A., Kumar V., Dabodhia K.L., Singh P. |
Journal of Molecular Structure |
2023 |
| 8 |
Biosynthesized silver nanoparticles using green chemistry approach and its evaluation as antifungal agent |
Patanjali N., Kumar R., Chopra I., Patanjali P., Kaushik R., Sharma S.K. |
Indian Journal of Chemical Technology |
2023 |
| 9 |
Exploring the Molecular Interactions between Acyclovir and Hormones: Insights from Density Functional Theory Calculations |
Raman A.P.S., Tomar J., Jain P., Kumar A., Singh P., Kumari K. |
ChemistrySelect |
2023 |
| 10 |
Investigate the ability of deep eutectic solvent (ChCl-glycerol) to sense the sulphur dioxide using density functional theory calculations and molecular dynamics simulations |
Babu Singh M., Prajapat A., Jain P., Singh P., Bahadur I., Kaushik N.K., Kaushik N., Kumari K. |
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