Theoretical Study on the Regioselectivity of Leapfrog B<sub>18</sub> and B<sub>30</sub> Boron Sheets in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity Indices-Reference-Cited by-同舟云学术

Theoretical Study on the Regioselectivity of Leapfrog B₁₈ and B₃₀ Boron Sheets in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity Indices

Published:2024-03-13 Issue:12 Volume:128 Page:2295-2305
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Muya Jules Tshishimbi¹²³^ORCID,Geerlings Paul⁴

Affiliation:

1. Department of Chemistry, Faculty of Science, University of Kinshasa, P.O. 190, Kinshasa 63090201, Democratic Republic of the Congo

2. Department of Chemistry, KU Leuven, Celestijnenlaan 200F, Leuven B-3001, Belgium

3. Research Center for Theoretical Chemistry and Physics in Central Africa, Faculty of Science, University of Kinshasa, Kinshasa 63090201, DR Congo

4. Department of General Chemistry (ALGC), VUB, Brussels 1050, Belgium

Funder

KU Leuven

VLIRUOS

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c07753

Reference64 articles.

1. Nonlinear optical response of teetotum boron clusters

2. A persistent (amino)(ferrocenyl)carbene

3. First-Principles Study of Linear and Nonlinear Optical Properties of Multi-Layered Borophene

4. Shedding light on the optical and nonlinear optical properties of superalkali-doped borophene

5. Strongly anisotropic thermal conductivity in planar hexagonal borophene oxide sheet

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Regioselectivity and physical nature of the interactions between (methyl)guanine with HCl and CH3OH;Discover Chemistry;2024-08-19

2. An Extended Rudolph Diagram: B₃H₅ and B₃H₆⁺ Relate 3D-, 2D-, 1D-, and 0D-Boron Allotropes;Inorganic Chemistry;2024-06-07