Hot Topic: Applications of Reactivity Indices based on Density Functional Theory to the Study of Organic Reactions. The Case of the Diels-Alder Reaction

被引：0
|
作者：
Domingo, Luis R. [1 ]
机构：
[1] Univ Valencia, Dept Quim Organ, E-46100 Valencia, Spain
来源：
LETTERS IN ORGANIC CHEMISTRY | 2011年 / 8卷 / 02期
关键词：
D O I：
暂无
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
引用
收藏
页码：81 / 81
页数：1
相关论文
共 50 条
  • [1] Impact of Lewis acids on Diels-Alder reaction reactivity: A conceptual density functional theory study
    Xia, Yue
    Yin, Dulin
    Rong, Chunying
    Xu, Qiong
    Yin, Donghong
    Liu, Shubin
    JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (40): : 9970 - 9977
  • [2] A Density Functional Theory Study on the Diels-Alder Reactions with Vinylallenes as Dienes
    Li, Zhi-Ming
    Wang, Quan-Rui
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 111 (14) : 3805 - 3815
  • [3] Understanding the high reactivity of triazolinediones in Diels-Alder reactions. A DFT study
    Fernandez-Herrera, Maria A.
    Zavala-Oseguera, Claudia
    Luis Cabellos, Jose
    Sandoval-Ramirez, Jesus
    Domingo, Luis R.
    Merino, Gabriel
    JOURNAL OF MOLECULAR MODELING, 2014, 20 (04)
  • [4] Understanding the high reactivity of triazolinediones in Diels-Alder reactions. A DFT study
    María A. Fernández-Herrera
    Claudia Zavala-Oseguera
    José Luis Cabellos
    Jesús Sandoval-Ramírez
    Luis R. Domingo
    Gabriel Merino
    Journal of Molecular Modeling, 2014, 20
  • [5] A density functional theory study of secondary orbital overlap in endo cycloaddition reactions. An example of a Diels-Alder reaction between butadiene and cyclopropene
    Jursic, BS
    JOURNAL OF ORGANIC CHEMISTRY, 1997, 62 (10): : 3046 - 3048
  • [6] A density functional theory study of π-facial stereoselectivity in intramolecular Diels-Alder reactions
    Paddon-Row, MN
    Sherburn, MS
    CHEMICAL COMMUNICATIONS, 2000, (22) : 2215 - 2216
  • [7] Diels-Alder reactivity of benzannulated isobenzofurans as assessed by density functional theory
    Margetic, D
    Warrener, RN
    Dibble, PW
    JOURNAL OF MOLECULAR MODELING, 2004, 10 (02) : 87 - 93
  • [8] A density functional theory study of the secondary orbital overlap in endo cycloaddition reactions. An example of a Diels-Alder reaction between butadiene and cyclopropene.
    Jursic, BS
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 218 - COMP
  • [9] Density functional study of π facial selectivity in Diels-Alder reactions
    Bachmann, C
    Böker, N
    Mondon, M
    Gesson, JP
    JOURNAL OF ORGANIC CHEMISTRY, 2000, 65 (23): : 8089 - 8092
  • [10] Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions
    Singh, Raman K.
    Tsuneda, Takao
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2013, 34 (05) : 379 - 386
12345