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This study employs Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) to analyze the influence of polar and non-polar solvents on the properties of anticancer drugs 5-fluorouracil (5-FU), nitrosourea (NU), and hydroxyurea (HU). The findings reveal that polar solvents reduce molecular energy and enhance drug reactivity, with significant variations in energy gaps, particularly for HU. The research provides insights into the molecular stability and reactivity of these drugs in different solvent en

Author

imame9392

Language

EN