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多组分多米诺Knoevenagel/ Diels-Alder反应非对映选择性和区域选择性的DFT研究

IF 2.4 Q3 Computer Science
Journal of Theoretical & Computational Chemistry Pub Date : 2020-03-25 DOI:10.1142/s0219633620500054
M. Attarbashi, N. Z. Shiraz, M. Samadizadeh
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引用次数: 1

摘要

本研究从理论上研究了多组分domino Knoevenagel/Diels-Alder反应的机理和立体化学。试剂的结构，过渡态，中间体，和。。。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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DFT studies on the diastereoselectivity and regioselectivity of multicomponent domino Knoevenagel/Diels–Alder reaction
In this study, mechanism and stereochemistry of multicomponent domino Knoevenagel/Diels–Alder reaction were investigated theoretically. Structures of reagents, transition states, intermediates, and...
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来源期刊
Journal of Theoretical & Computational Chemistry
Journal of Theoretical & Computational Chemistry 化学-化学综合
CiteScore
1.70
自引率
0.00%
发文量
0
审稿时长
3 months
期刊介绍： The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal aimed at providing comprehensive coverage on the latest developments and applications of research in the ever-expanding field of theoretical and computational chemistry. JTCC publishes regular articles and reviews on new methodology, software, web server and database developments. The applications of existing theoretical and computational methods which produce significant new insights into important problems are also welcomed. Papers reporting joint computational and experimental investigations are encouraged. The journal will not consider manuscripts reporting straightforward calculations of the properties of molecules with existing software packages without addressing a significant scientific problem. Areas covered by the journal include molecular dynamics, computer-aided molecular design, modeling effects of mutation on stability and dynamics of macromolecules, quantum mechanics, statistical mechanics and other related topics.
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