biblio

Found 4 results
Filters: Keyword is DFT calculations  [Clear All Filters]
2023
S. Baddepuri, Allaka, B. Sai, Gamidi, R. Krishna, Faizan, M., Pawar, R., and Basavoju, S., “Ultrasound assisted green protocol for the synthesis of quinoxaline based bisspirooxindoles: crystal structure analysis, enone umpolung, DFT calculations, anti-cancer activity, and molecular docking studies”, Synthetic Communications, vol. 53, no. 11, pp. 835-854, 2023.
2021
P. Khanvilkar, Dash, S. R., Pulipaka, R., Shirsath, K., Devkar, R., and Chakraborty, D., “Imidazole/4,4 `-azopyridine bridging binuclear Ru(II) complexes: design, synthesis, bimolecular interactions and cytotoxicity against HeLa cell line”, Journal of the Iranian Chemical Society, vol. 18, no. 12, 2021.
2019
P. Khandelwal, Singh, D. K., and Poddar, P., “Advances in the experimental and theoretical understandings of antibiotic conjugated gold nanoparticles for antibacterial applications”, ChemistrySelect, vol. 4, no. 22, pp. 6719-6738, 2019.
2013
P. Sharma, Singh, D. K., Gupta, V., Asthana, B. P., Mishra, P. C., and Singh, R. K., “Study of hydration of sarcosine, formation of its zwitterion and their different oligomers in aqueous media: a Raman spectroscopic and theoretical study”, Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, vol. 116, pp. 74-83, 2013.