A Computational Study of the Reactivity of 3,5-(Oxo/Thioxo) Derivatives of 2,7-Dimethyl-1,2,4-Triazepines. Keto–Enol Tautomerization and Potential for Hydrogen Storage-Reference-Cited by-同舟云学术

A Computational Study of the Reactivity of 3,5-(Oxo/Thioxo) Derivatives of 2,7-Dimethyl-1,2,4-Triazepines. Keto–Enol Tautomerization and Potential for Hydrogen Storage

Published:2018-02-27 Issue:11 Volume:122 Page:3076-3086
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Esseffar M’hamed¹^ORCID,Parish Carol A.²^ORCID,Jalal R.³,Lamsabhi Al Mokhtar^ORCID

Affiliation:

1. Département de Chimie, Faculté des Sciences Semlalia, Université Cadi Ayyad, B.P. 2390, Marrakesh 40000, Morocco

2. Department of Chemistry, University of Richmond, Gottwald Center for the Sciences, Richmond, Virginia 23173 United States

3. Département de Chimie, Faculté des Sciences et Techniques, Université Cadi Ayyad, B.P. 549, Marrakesh, 40000, Morocco

Funder

Division of Chemistry

Ministerio de Econom?a y Competitividad

American Chemical Society Petroleum Research Fund

U.S. Department of Energy

Comunidad Aut?noma de Madrid

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b00251

Reference62 articles.

1. Boron-Pyrazole Chemistry

2. Polypyrazolylborates, a new class of ligands

3. N,N'-Diboryloxamidines

4. Recent advances in poly(pyrazolyl)borate (scorpionate) chemistry

5. Scorpionates: genesis, milestones, prognosis

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. Theoretical insight into the origins of chemo- and diastereo-selectivity in the palladium-catalysed (3 + 2) cyclisation of 5-alkenyl thiazolones;Organic Chemistry Frontiers;2021

2. Twenty years of exceptional success: The molecular education and research consortium in undergraduate computational chemistry ( MERCURY );International Journal of Quantum Chemistry;2020-06