Dimerizations of Nitrile Oxides to Furoxans Are Stepwise via Dinitrosoalkene Diradicals:  A Density Functional Theory Study

Zhi-Xiang Yu; Pierluigi Caramella; K. N. Houk

doi:10.1021/ja037325a

Dimerizations of Nitrile Oxides to Furoxans Are Stepwise via Dinitrosoalkene Diradicals: A Density Functional Theory Study

Journal of the American Chemical Society ◽

10.1021/ja037325a ◽

2003 ◽

Vol 125 (50) ◽

pp. 15420-15425 ◽

Cited By ~ 56

Author(s):

Zhi-Xiang Yu ◽

Pierluigi Caramella ◽

K. N. Houk

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitrile Oxides

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Mechanism and Regioselectivity of 1,3‐Dipolar Cycloaddition of Nitrile Oxides to 3‐Methylene Oxindole: A Density Functional Theory Study

ChemistrySelect ◽

10.1002/slct.202002672 ◽

2020 ◽

Vol 5 (28) ◽

pp. 8421-8428

Author(s):

Xiaoling Luo ◽

Song Liu ◽

Yu Lan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dipolar Cycloaddition ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitrile Oxides

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1,3-Dipolar Cycloaddition of Nitrile Oxides to [C60]fullerene: A Density Functional Theory Study

10.3390/ecsoc-15-00655 ◽

2011 ◽

Author(s):

Ponnadurai Ramasami ◽

John Joule ◽

Luis Domingo ◽

Sabina Jhaumeer-Laulloo ◽

Lydia Rhyman

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

C60 Fullerene ◽

Dipolar Cycloaddition ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitrile Oxides

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Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides

Structural Chemistry ◽

10.1007/s11224-015-0703-8 ◽

2015 ◽

Vol 27 (4) ◽

pp. 1041-1047 ◽

Cited By ~ 3

Author(s):

Amir Khojastehnezhad ◽

Hossein Eshghi ◽

Farid Moeinpour ◽

Mehdi Bakavoli ◽

Mohammad Izadyar ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitrile Oxides

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

Indian Journal of Physics ◽

10.1007/s12648-013-0438-6 ◽

2014 ◽

Vol 88 (5) ◽

pp. 483-487 ◽

Cited By ~ 15

Author(s):

R. Majidi ◽

A. R. Karami

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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