An ab Initio Study of Facial Selectivity in the Diels−Alder Reaction

1998 ◽  
Vol 63 (1) ◽  
pp. 105-112 ◽  
Author(s):  
James D. Xidos ◽  
Raymond A. Poirier ◽  
Cory C. Pye ◽  
D. Jean Burnell
Keyword(s):  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction ◽  
Facial Selectivity

Regio- and stereoselectivity in the Diels–Alder reaction of vinylallenes with acrolein: an ab initio study

1999 ◽  
Vol 460 (1-3) ◽  
pp. 67-78 ◽  
Author(s):  
J.B. Wright ◽  
Julianto Pranata
Keyword(s):  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction

Electronic factors influencing the activation barrier of the Diels-Alder reaction. An ab initio study

1989 ◽  
Vol 54 (12) ◽  
pp. 2931-2935 ◽  
Author(s):  
Robert D. Bach ◽  
Joseph J. W. McDouall ◽  
H. Bernhard Schlegel ◽  
Gregory J. Wolber
Keyword(s):  
Ab Initio ◽  
Activation Barrier ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction ◽  
Factors Influencing

Ab Initio Study of the Diels−Alder Reaction of Cyclopentadiene with Acrolein in a Ionic Liquid by KS-DFT/3D-RISM-KH Theory

2009 ◽  
Vol 6 (1) ◽  
pp. 179-183 ◽  
Author(s):  
Cinzia Chiappe ◽  
Marco Malvaldi ◽  
Christian Silvio Pomelli
Keyword(s):  
Ionic Liquid ◽  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction

Diels−Alder Reaction of Phosphaethene with 1,3-Dienes:  An ab Initio Study

2002 ◽  
Vol 67 (26) ◽  
pp. 9162-9174 ◽  
Author(s):  
Chaitanya S. Wannere ◽  
Raj K. Bansal ◽  
Paul von Ragué Schleyer
Keyword(s):  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction

The tandem Diels-Alder reaction between acetylenedicarboxyaldehyde and N,N'-dipyrrolylmethane. An ab initio study of the molecular mechanisms

1998 ◽  
Vol 426 (1-3) ◽  
pp. 257-262 ◽  
Author(s):  
Luis R. Domingo ◽  
M.Teresa Picher ◽  
Manuel Arnó ◽  
Juan Andrés ◽  
Vicent S. Safont
Keyword(s):  
Ab Initio ◽  
Molecular Mechanisms ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction

Diels-Alder Reaction of Furan with Cyclopropenone. An ab Initio Study

1995 ◽  
Vol 60 (14) ◽  
pp. 4395-4398 ◽  
Author(s):  
Steven M. Bachrach
Keyword(s):  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction

Ab Initio Study of the Diels-Alder Reaction between Phospholes and Ethyne

1994 ◽  
Vol 59 (17) ◽  
pp. 5027-5033 ◽  
Author(s):  
Steven M. Bachrach
Keyword(s):  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Ab Initio Study ◽  
Diels Alder Reaction

Ab initio and semiempirical corroboration of the observed stereoselectivity in the transannular Diels-Alder reaction leading to steroids

Tetrahedron ◽  
1998 ◽  
Vol 54 (34) ◽  
pp. 10089-10110 ◽  
Author(s):  
Michel Couturier ◽  
Yves L Dory ◽  
Daniel Fortin ◽  
Alain Rouillard ◽  
Pierre Deslongchamps
Keyword(s):  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Diels Alder Reaction

Ab initio Cs transition state for the Diels-Alder reaction of acetylene and butadiene

1990 ◽  
Vol 55 (12) ◽  
pp. 3804-3807 ◽  
Author(s):  
James M. Coxon ◽  
Stephen T. Grice ◽  
Robert G. A. R. Maclagan ◽  
D. Quentin McDonald
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Alder Reaction ◽  
Diels Alder ◽  
Diels Alder Reaction
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