A computational study for the reaction mechanism of metal-free cyanomethylation of aryl alkynoates with acetonitrile
Keyword(s):
A computational study of metal-free cyanomethylation and cyclization of aryl alkynoates with acetonitrile is carried out employing density functional theory and high-level coupled-cluster methods, such as [CCSD(T)].
1994 ◽
Vol 100
(9)
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pp. 6550-6561
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2009 ◽
Vol 470
(4-6)
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pp. 353-357
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2007 ◽
Vol 28
(9)
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pp. 1551-1560
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1999 ◽
Vol 309
(1-2)
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pp. 81-89
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1998 ◽
Vol 434
(1-3)
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pp. 67-73
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