Comparison of the adsorption behavior of melphalan anti-cancer drug on MgS nano-cage: A DFT study
The adsorption behavior of melphalan anti-cancer drug on the MgS nano-cage surface was investigated using DFT and TD-DFT methods by B3LYP/6-31G(d) level of theory. From the obtained adsorption energies of MEL/MgS complexes (I-III), it was determined that the adsorption process is exothermic. The ele...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-05-01
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| Series: | Results in Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715625002565 |
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