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• W1991926513 abstract "The molecular structure and vibrational spectra of ciprofloxacin(1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid) have been calculated using the different density functional theory (DFT) methods and various basis sets. This paper examines the comparative performance of different DFT methods at various basis sets in predicting molecular and vibrational spectra of ciprofloxacin. The calculation results show that SVWN/LANL2DZ level and SVWN/6-31G level offer the highest certainty to predict the structure and vibrational spectra of ciprofloxacin, respectively." @default.
• W1991926513 created "2016-06-24" @default.
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• W1991926513 date "2013-02-01" @default.
• W1991926513 modified "2023-09-24" @default.
• W1991926513 title "Theoretical structure and vibrational spectra of ciprofloxacin: Density functional theory study" @default.
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• W1991926513 doi "https://doi.org/10.1016/j.saa.2012.10.029" @default.
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