Mechanism and regioselectivity of the reversible Diels–Alder cycloaddition of 2-methyl-1,3 butadiene with C 48 B 6 N 6 heterofullerene: A DFT approach-Reference-Cited by-同舟云学术

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Mechanism and regioselectivity of the reversible Diels–Alder cycloaddition of 2-methyl-1,3 butadiene with C 48 B 6 N 6 heterofullerene: A DFT approach

Published:2014-09 Issue: Volume:53 Page:212-220
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Zahedi Ehsan

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference48 articles.

1. Solid C60: a new form of carbon;Krätschmer;Nature,1990

2. Adsorption of nitrogen dioxide on C30B15N15 heterofullerene: AIM and NBO study via DFT;Zahedi;C. R. Chim.,2013

3. Exploring electronic structures for the most stable isomers of C12B6N6 and B6N6C12 heterofullerenes based on NMR, NICS and NBO analysis: a DFT study;Anafcheh;Physica E,2012

4. Structure, vibrational and electronic spectra of heterofullerene C48(BN)6;Manaa;Chem. Phys. Lett.,2004

5. Physics and Chemistry of the Fullerenes;Prassides,1994

Cited by 1 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. An energetic analysis of the Diels-Alder endo:exo selectivity reaction by using composite methods;Computational and Theoretical Chemistry;2018-01

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