A density functional theory study on the Diels-Alder reactions with vinylallenes as dienes

Zhi-Ming Li; Quan-Rui Wang

doi:10.1002/qua.22931

A density functional theory study on the Diels-Alder reactions with vinylallenes as dienes

International Journal of Quantum Chemistry ◽

10.1002/qua.22931 ◽

2010 ◽

Vol 111 (14) ◽

pp. 3805-3815 ◽

Cited By ~ 2

Author(s):

Zhi-Ming Li ◽

Quan-Rui Wang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study on the reaction mechanism of hydrazones with α-oxo-ketenes: Comparison between stepwise 1,3-dipolar cycloaddition and Diels–Alder pathways

Comptes Rendus Chimie ◽

10.1016/j.crci.2016.09.002 ◽

2017 ◽

Vol 20 (5) ◽

pp. 508-519 ◽

Cited By ~ 2

Author(s):

Mahshid Hamzehloueian

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Density Functional ◽

Diels Alder ◽

Dipolar Cycloaddition ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of the regio- and stereoselectivity of diels-alder reactions of 5-Aryl-2-pyrones

International Journal of Quantum Chemistry ◽

10.1002/qua.23232 ◽

2011 ◽

Vol 112 (10) ◽

pp. 2294-2300 ◽

Cited By ~ 13

Author(s):

Hafida Chemouri ◽

Sidi Mohamed Mekelleche

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Aqueous-Phase Rate Acceleration andEndo/ExoSelectivity of the Butadiene and Acrolein Diels−Alder Reaction

Journal of the American Chemical Society ◽

10.1021/ja0010249 ◽

2000 ◽

Vol 122 (42) ◽

pp. 10418-10427 ◽

Cited By ~ 56

Author(s):

Sue Kong ◽

Jeffrey D. Evanseck

Keyword(s):

Density Functional Theory ◽

Aqueous Phase ◽

Density Functional ◽

Alder Reaction ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory ◽

Diels Alder Reaction ◽

Rate Acceleration

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Suitability of furan, pyrrole and thiophene as dienes for Diels–Alder reactions viewed through their stability and reaction barriers for reactions with acetylene, ethylene and cyclopropene. An AM1 semiempirical and B3LYP hybrid density functional theory study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00281-4 ◽

1998 ◽

Vol 454 (2-3) ◽

pp. 105-116 ◽

Cited By ~ 18

Author(s):

Branko S Jursic

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Diels Alder ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Reaction Barriers ◽

Hybrid Density Functional

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Density Functional Theory Study of a Lewis Acid Catalyzed Diels−Alder Reaction. The Butadiene + Acrolein Paradigm

Journal of the American Chemical Society ◽

10.1021/ja9722279 ◽

1998 ◽

Vol 120 (10) ◽

pp. 2415-2420 ◽

Cited By ~ 73

Author(s):

J. I. García ◽

V. Martínez-Merino ◽

J. A. Mayoral ◽

L. Salvatella

Keyword(s):

Density Functional Theory ◽

Lewis Acid ◽

Density Functional ◽

Alder Reaction ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory ◽

Diels Alder Reaction ◽

Acid Catalyzed

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Stereoselectivity of the aza-Diels–Alder reaction between cyclopentadiene and protonated phenylethylimine derived from glyoxylates. A density functional theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2009.06.009 ◽

2009 ◽

Vol 477 (1-3) ◽

pp. 60-64 ◽

Cited By ~ 12

Author(s):

Filipe Teixeira ◽

José E. Rodríguez-Borges ◽

André Melo ◽

M. Natália D.S. Cordeiro

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Alder Reaction ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory ◽

Diels Alder Reaction

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Catalytic effect of molecular iodine in Diels–Alder reaction: a density functional theory study

Structural Chemistry ◽

10.1007/s11224-011-9803-2 ◽

2011 ◽

Vol 22 (5) ◽

pp. 1075-1085 ◽

Cited By ~ 2

Author(s):

Sanjib Deuri ◽

Prodeep Phukan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Catalytic Effect ◽

Molecular Iodine ◽

Alder Reaction ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory ◽

Diels Alder Reaction

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A density functional theory study of π-facial stereoselectivity in intramolecular Diels–Alder reactions

Chemical Communications ◽

10.1039/b006486f ◽

2000 ◽

pp. 2215-2216 ◽

Cited By ~ 12

Author(s):

Michael N. Paddon-Row ◽

Michael S. Sherburn

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study for the Diels–Alder reaction between N-acyl-1-aza-1,3-butadienes and vinylamines. Lewis acid catalyst and solvent effects

Tetrahedron ◽

10.1016/s0040-4020(02)00326-5 ◽

2002 ◽

Vol 58 (19) ◽

pp. 3765-3774 ◽

Cited By ~ 63

Author(s):

Luis Ramón Domingo

Keyword(s):

Density Functional Theory ◽

Lewis Acid ◽

Density Functional ◽

Acid Catalyst ◽

Alder Reaction ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory ◽

Diels Alder Reaction ◽

Lewis Acid Catalyst

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Aza-Diels-Alder reaction between cyclopentadiene and protonated N-phenylethyliminoacetates of 8-phenylmenthol and 8-phenylneomenthol: a density functional theory study

Journal of Physical Organic Chemistry ◽

10.1002/poc.1949 ◽

2011 ◽

Vol 25 (6) ◽

pp. 515-522 ◽

Cited By ~ 3

Author(s):

Margarida S. Miranda ◽

José E. Rodríguez-Borges ◽

Joaquim C. G. Esteves da Silva ◽

Xerardo García-Mera

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Alder Reaction ◽

Diels Alder ◽

Density Functional Theory Study ◽

Functional Theory ◽

Diels Alder Reaction

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