Governing organic reactions through secondary orbital interactions. Semiempirical and density functional theory study of catalyzed cycloaddition reactions between pyrrole and ether dienophiles

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/a803738h ◽

1999 ◽

pp. 373-378 ◽

Cited By ~ 3

Author(s):

Branko S. Jursic

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Organic Reactions ◽

Cycloaddition Reactions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Orbital Interactions

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1,3-Dipolar Cycloaddition Reactions between Ethyl Diazoacetate and Substituted Alkynes: A Density Functional Theory Study

Progress in Reaction Kinetics and Mechanism ◽

10.3184/146867814x13981545065053 ◽

2014 ◽

Vol 39 (3) ◽

pp. 233-248 ◽

Cited By ~ 5

Author(s):

Javad Tajabadi ◽

Mehdi Bakavoli ◽

Mostafa Gholizadeh ◽

Hossein Eshghi ◽

Amir Khojastehnezhad

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Ethyl Diazoacetate

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A density functional theory study of the chemoselectivity and regioselectivity of the domino cycloaddition reactions of nitroalkenes with substituted alkenes

Theoretical Chemistry Accounts ◽

10.1007/s002140000131 ◽

2000 ◽

Vol 104 (3-4) ◽

pp. 240-246 ◽

Cited By ~ 10

Author(s):

Luis R. Domingo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Cycloaddition Reactions ◽

Density Functional Theory Study ◽

Functional Theory

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Regio- and stereochemistry in the intramolecular [4 + 2] and intermolecular [3 + 2] cycloaddition reactions in the synthesis of epoxypyrrolo[3,4-g]indazoles: a density functional theory study

Chemical Papers ◽

10.1007/s11696-020-01359-z ◽

2020 ◽

Author(s):

Mousa Soleymani ◽

Hossein Dashti Khavidaki

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Cycloaddition Reactions ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of silole-fused tetramethyleneethane biradicals with orbital interactions

Journal of Physical Organic Chemistry ◽

10.1002/poc.1891 ◽

2011 ◽

Vol 24 (10) ◽

pp. 921-928 ◽

Cited By ~ 2

Author(s):

Yusuke Kano ◽

Kazuhiko Mizuno ◽

Hiroshi Ikeda

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Orbital Interactions

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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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