The computational quantum mechanical investigation of the functionalized boron nitride nanocage as the smart carriers for favipiravir drug delivery: a DFT and QTAIM analysis-Reference-Cited by-同舟云学术

The computational quantum mechanical investigation of the functionalized boron nitride nanocage as the smart carriers for favipiravir drug delivery: a DFT and QTAIM analysis

Published:2021-10-01 Issue: Volume: Page:1-17
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Hasan Md. Mehade¹²^ORCID,Das Ashish Chandra³,Hossain Md. Rakib⁴^ORCID,Hossain Md. Kamal²^ORCID,Hossain Md. Abul²,Neher Budrun²,Ahmed Farid²

Affiliation:

1. Department of Physics, Jashore University of Science and Technology, Jashore, Bangladesh

2. Department of Physics, Jahangirnagar University, Savar, Dhaka, Bangladesh

3. Department of Physics, Comilla University, Kotbari, Cumilla, Bangladesh

4. Department of Physics, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh

Funder

University Grants Commission of Bangladesh and Ministry of Science and Technology

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1982776

Reference90 articles.

1. Adsorption of Celecoxib on B12N12 fullerene: Spectroscopic and DFT/TD-DFT study

2. Flattening the B6H62- Octahedron. Ab Initio Prediction of a New Family of Planar All-Boron Aromatic Molecules

3. Armchair BN nanotubes—levothyroxine interactions: a molecular study

4. A new mixing of Hartree–Fock and local density‐functional theories

5. Adsorption behavior of letrozole on pure, Ge- and Si-doped C60 fullerenes: a comparative DFT study

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