Assessing the effective factors affecting the conformational preferences and the early and late transition states of the unimolecular retro-ene decomposition reactions of ethyl cyanate, ethyl thiocyanate and ethyl selenocyanate
Keyword(s):
The variations of Δ[(HCGAE(X3–C4weakening) – HCGAE(X3–C4strengthening)] parameters correlate well with the variations of the retro-ene decomposition reactions barrier heights going from compound1to compound3.
2004 ◽
Vol 108
(52)
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pp. 11740-11751
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2006 ◽
Vol 71
(11)
◽
pp. 4178-4182
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2017 ◽
Vol 7
(3)
◽
2020 ◽
Keyword(s):