Performance of Particle Swarm Optimization in Predicting the Orientation of π-Conjugated Molecules Inside Carbon Nanotubes Compared with Density Functional Theory Calculations-Reference-Cited by-同舟云学术

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Performance of Particle Swarm Optimization in Predicting the Orientation of π-Conjugated Molecules Inside Carbon Nanotubes Compared with Density Functional Theory Calculations

Published:2024-06-13 Issue:25 Volume:128 Page:5054-5064
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fukuura Shuta¹,Nishidate Yohei²³,Yumura Takashi¹^ORCID

Affiliation:

1. Faculty of Materials Science and Engineering, Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan

2. Materials Innovation Lab, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan

3. Department of Computer Science and Engineering, University of Aizu, Aizu-Wakamatsu, Fukushima 965-8580, Japan

Funder

Japan Science and Technology Corporation

The Materials Innovation lab at Kyoto Institute of Technology

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c01685

Reference60 articles.

1. Single-shell carbon nanotubes of 1-nm diameter

2. Physical Properties of Carbon Nanotubes

3. Molecules in Carbon Nanotubes

4. Chemical reactions confined within carbon nanotubes

5. Organic molecules encapsulated in single-walled carbon nanotubes

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1. Computational Insights into the Regioselectivity of 1,3-Dipolar Cycloadditions inside Carbon Nanotubes;The Journal of Physical Chemistry C;2024-09-01

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