AB initio calculations of Diels-Alder transition structures for hetero-dienophile additions to cyclopentadiene

Branko S. Jursic; Zoran Zdravkovski

doi:10.1002/poc.610071109

AB initio calculations of Diels-Alder transition structures for hetero-dienophile additions to cyclopentadiene

Journal of Physical Organic Chemistry ◽

10.1002/poc.610071109 ◽

1994 ◽

Vol 7 (11) ◽

pp. 641-645 ◽

Cited By ~ 15

Author(s):

Branko S. Jursic ◽

Zoran Zdravkovski

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Diels Alder ◽

Transition Structures

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Ab initio transition structures for Diels-Alder reactions of 2-azabutadiene with alkenes and alkynes: Effects of substituents, the aza group, and catalysis on reactivity

The Journal of Organic Chemistry ◽

10.1021/jo00037a016 ◽

1992 ◽

Vol 57 (11) ◽

pp. 3031-3037 ◽

Cited By ~ 41

Author(s):

Javier Gonzalez ◽

K. N. Houk

Keyword(s):

Ab Initio ◽

Diels Alder ◽

Transition Structures

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ChemInform Abstract: Mechanism of the Diels-Alder Reaction of Enal Dienophiles. Competitive Reactivity and ab initio Calculations Using a Transannular Probe.

ChemInform ◽

10.1002/chin.199903037 ◽

2010 ◽

Vol 30 (3) ◽

pp. no-no

Author(s):

Y. L. DORY ◽

D. G. HALL ◽

P. DESLONGCHAMPS

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Alder Reaction ◽

Diels Alder ◽

Diels Alder Reaction

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ChemInform Abstract: Empirical Force-Field Models for the Transition States of Intramolecular Diels-Alder Reactions Based Upon ab initio Transition Structures.

ChemInform ◽

10.1002/chin.199237068 ◽

2010 ◽

Vol 23 (37) ◽

pp. no-no

Author(s):

L. RAIMONDI ◽

F. K. BROWN ◽

J. GONZALEZ ◽

K. N. HOUK

Keyword(s):

Force Field ◽

Ab Initio ◽

Transition States ◽

Diels Alder ◽

Transition Structures ◽

Empirical Force Field

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Ab initio transition structures for hetero Diels-Alder cycloadditions to furan

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03895-r ◽

1995 ◽

Vol 331 (3) ◽

pp. 215-221 ◽

Cited By ~ 8

Author(s):

Branko S. Jursic ◽

Zoran Zdravkovski

Keyword(s):

Ab Initio ◽

Diels Alder ◽

Transition Structures

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Empirical force field models for the transition states of intramolecular Diels-Alder reactions based upon ab initio transition structures

Journal of the American Chemical Society ◽

10.1021/ja00038a052 ◽

1992 ◽

Vol 114 (12) ◽

pp. 4796-4804 ◽

Cited By ~ 35

Author(s):

Laura Raimondi ◽

Frank K. Brown ◽

Javier Gonzalez ◽

K. N. Houk

Keyword(s):

Force Field ◽

Ab Initio ◽

Transition States ◽

Diels Alder ◽

Transition Structures ◽

Empirical Force Field

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On the mechanism of the Diels-Alder reaction of enal dienophiles. Competitive reactivity and ab initio calculations using a transannular probe

Tetrahedron ◽

10.1016/s0040-4020(98)00764-9 ◽

1998 ◽

Vol 54 (40) ◽

pp. 12279-12288 ◽

Cited By ~ 7

Author(s):

Yves L. Dory ◽

Dennis G. Hall ◽

Pierre Deslongchamps

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Alder Reaction ◽

Diels Alder ◽

Diels Alder Reaction

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Diels-Alder transition structures of hetero-dienophile addition to 4H-pyrazole calculated by ab initio methods

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03898-u ◽

1995 ◽

Vol 331 (3) ◽

pp. 229-234 ◽

Cited By ~ 8

Author(s):

Branko S. Jursic ◽

Zoran Zdravkovski

Keyword(s):

Ab Initio ◽

Diels Alder ◽

Ab Initio Methods ◽

Transition Structures

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NMR Studies of Hindered Rotation and Magnetic Anisotropy: The Diels–Alder Adducts of Phencyclone withN‐Phenylmaleimide andN‐(2‐Trifluoromethylphenyl)maleimide. Ab Initio Calculations for Optimized Structures

Spectroscopy Letters ◽

10.1081/sl-120039703 ◽

2004 ◽

Vol 37 (5) ◽

pp. 469-492 ◽

Cited By ~ 7

Author(s):

Kimberly Marshall ◽

Robert Rothchild

Keyword(s):

Magnetic Anisotropy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Diels Alder ◽

Nmr Studies ◽

Hindered Rotation

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Stereospecificity of Diels–Alder Reactions Validated Using Ab Initio Calculations: Synthesis of Novel Coumarin and Phenanthridine Derivatives

Synthetic Communications ◽

10.1080/00397910802711326 ◽

2009 ◽

Vol 39 (16) ◽

pp. 2954-2972 ◽

Cited By ~ 11

Author(s):

A. El-Shafei ◽

A. A. Fadda ◽

I. I. Abdel-Gawad ◽

E. H. E. Youssif

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Diels Alder

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Enhanced Aromaticity of the Transition Structures for the Diels−Alder Reactions of Quinodimethanes: Evidence from ab Initio and DFT Computations

The Journal of Organic Chemistry ◽

10.1021/jo001156k ◽

2000 ◽

Vol 65 (23) ◽

pp. 7971-7976 ◽

Cited By ~ 31

Author(s):

Mariappan Manoharan ◽

Frank De Proft ◽

Paul Geerlings

Keyword(s):

Ab Initio ◽

Diels Alder ◽

Dft Computations ◽

Transition Structures ◽

Ab Initio And Dft

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