1,3-Dipolar cycloaddition of BC2N nanotubes: A DFT study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.02.004 ◽

2014 ◽

Vol 1034 ◽

pp. 32-37 ◽

Author(s):

Maryam Anafcheh ◽

Reza Ghafouri

Keyword(s):

Dft Study ◽

Dipolar Cycloaddition ◽

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DFT Study of Thermal 1,3-Dipolar Cycloaddition Reactions between Alkynyl Metal(0) Fischer Carbene Complexes and 3H-1,2-Dithiole-3-thione Derivatives

Organometallics ◽

10.1021/om1007105 ◽

2011 ◽

Vol 30 (3) ◽

pp. 466-476 ◽

Author(s):

Diego M. Andrada ◽

Alejandro M. Granados ◽

Miquel Solà ◽

Israel Fernández

Keyword(s):

Dft Study ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions ◽

Fischer Carbene Complexes ◽

Carbene Complexes ◽

Fischer Carbene

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ChemInform Abstract: Theoretical Study of the 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides. A DFT Study of Reaction Between Trifluoromethyl Thiomethyl Azomethine Ylide and Acrylonitrile.

10.1002/chin.199934054 ◽

2010 ◽

Vol 30 (34) ◽

pp. no-no

Author(s):

Luis R. Domingo

Keyword(s):

Theoretical Study ◽

Dft Study ◽

Azomethine Ylides ◽

Azomethine Ylide ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions

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Investigating the regio-, stereo-, and enantio-selectivities of the 1,3-dipolar cycloaddition reaction of C-cyclopropyl-N-phenylnitrone derivatives and benzylidenecyclopropane derivatives: A DFT study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2020.107672 ◽

2020 ◽

Vol 100 ◽

pp. 107672 ◽

Author(s):

George Baffour Pipim ◽

Richard Tia ◽

Evans Adei

Keyword(s):

Cycloaddition Reaction ◽

Dft Study ◽

Dipolar Cycloaddition

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Functionalization of carbon ad-dimer defective single-walled carbon nanotubes through 1,3-dipolar cycloaddition: a DFT study

Structural Chemistry ◽

10.1007/s11224-014-0507-2 ◽

2014 ◽

Vol 26 (2) ◽

pp. 507-515 ◽

Author(s):

Reza Ghafouri ◽

Fatemeh Ektefa

Keyword(s):

Carbon Nanotubes ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Dipolar Cycloaddition ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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A quantum-chemical DFT study of the mechanism and regioselectivity of the 1,3-dipolar cycloaddition reaction of nitrile oxide with electron-rich ethylenes

International Journal of Quantum Chemistry ◽

10.1002/qua.25540 ◽

2017 ◽

Vol 118 (11) ◽

pp. e25540 ◽

Author(s):

Wassila Yahia ◽

Abdelmalek Khorief Nacereddine ◽

Messaoud Liacha ◽

Abdelhafid Djerourou

Keyword(s):

Quantum Chemical ◽

Cycloaddition Reaction ◽

Nitrile Oxide ◽

Dft Study ◽

Dipolar Cycloaddition

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DFT study of the mechanism and stereoselectivity of the 1,3-dipolar cycloaddition between pyrroline-1-oxide and methyl crotonate

Journal of Chemical Sciences ◽

10.1007/s12039-013-0563-y ◽

2014 ◽

Vol 126 (1) ◽

pp. 283-292 ◽

Author(s):

KHADIJA MARAKCHI ◽

RACHIDA GHAILANE ◽

OUM KALTOUM KABBAJ ◽

NAJIA KOMIHA

Keyword(s):

Dft Study ◽

Dipolar Cycloaddition

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Exploring the electronic and magnetic properties of zigzag and armchair BC2N nanotubes: a DFT study

Structural Chemistry ◽

10.1007/s11224-013-0252-y ◽

2013 ◽

Vol 25 (1) ◽

pp. 95-102 ◽

Author(s):

Reza Ghafouri ◽

Maryam Anafcheh ◽

Fereshteh Naderi

Keyword(s):

Magnetic Properties ◽

Dft Study ◽

Electronic And Magnetic Properties ◽

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Stone–Wales defect formation in the zigzag and armchair BC2N nanotubes: A DFT study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2013.11.018 ◽

2014 ◽

Vol 58 ◽

pp. 94-100 ◽

Author(s):

Reza Ghafouri ◽

Maryam Anafcheh ◽

Mansour Zahedi

Keyword(s):

Defect Formation ◽

Dft Study ◽

Wales Defect ◽

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Understanding the role of the Lewis acid catalyst on the 1,3-dipolar cycloaddition of N-benzylideneaniline N-oxide with acrolein: a DFT study

Tetrahedron ◽

10.1016/j.tet.2007.03.064 ◽

2007 ◽

Vol 63 (21) ◽

pp. 4464-4471 ◽

Author(s):

Luis Ramón Domingo ◽

Wafaa Benchouk ◽

Sidi Mohamed Mekelleche

Keyword(s):

Acid Catalyst ◽

Dft Study ◽

Dipolar Cycloaddition ◽

Lewis Acid Catalyst

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Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: a DFT study

Journal of Physical Organic Chemistry ◽

10.1002/poc.1858 ◽

2011 ◽

Vol 24 (7) ◽

pp. 611-618 ◽

Author(s):

W. Benchouk ◽

S. M. Mekelleche ◽

B. Silvi ◽

M. J. Aurell ◽

L. R. Domingo

Keyword(s):

Solvent Effects ◽

Dft Study ◽

Dipolar Cycloaddition

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