Al-BNNT-LD

Published: 28 January 2025| Version 1 | DOI: 10.17632/t7rz93bhn6.1
Contributor:
Melina Shadi

Description

This dataset includes computational results supporting the study of the interaction between Levodopa on Al‑doped boron nitride nanotube. The data highlight the geometry optimization, chemical reactivity, thermodynamic stability, and electronic properties of the adsorption process. Key results are obtained using AIM2000, Gaussian 09, and natural bond orbital (NBO) analyses.

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Categories

Drug Delivery, Computational Chemistry, Nanotube as Delivery Vehicle, Quantum Chemistry

Related Links

Article
https://doi.org/10.1007/s11224-022-02050-7
is related to this dataset

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