A multiscale ONIOM study of the buckminsterfullerene (C60) Diels–Alder reaction: from model design to reaction path analysis-Reference-Cited by-同舟云学术

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A multiscale ONIOM study of the buckminsterfullerene (C60) Diels–Alder reaction: from model design to reaction path analysis

Published:2022-09-22 Issue:10 Volume:28 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Isamura Bienfait Kabuyaya,Lobb Kevin Alan

Funder

BEBUC scholarship program

Faculty of science, Rhodes University

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-022-05319-0.pdf

Reference81 articles.

1. Kroto HW, Heath JR, O’Brien SC, Curl RF, Smalley RE (1985) C60: Buckminsterfullerene. Nature 318(6042):162–163

2. Huffman D, Kraetschmer W, Lamb L (1990) Fos-tiropoulos, k. Nature (London) 347:354

3. Hirsch A (2006) Functionalization of fullerenes and carbon nanotubes. Physica Status Solidi (b) 243(13):3209–3212

4. Bingel C (1993) Cyclopropanierung von fullerenen. Chem Ber 126(8):1957–1959

5. McEwen CN, McKay RG, Larsen BS (1992) C60 as a radical sponge. J Am Chem Soc 114(11):4412–4414

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