semiempirical molecular orbital
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2021 ◽  
Author(s):  
Takayuki OHMAE

To increase the number of synthetic targets having Y-aromaticity, we proposed (<i>n, l, m</i>)-tridentenes, in which the lengths of the three linear conjugated systems, extending from the central atom of the Y-shaped structure of n-tridentene were made irregular. The calculation results obtained using the semiempirical molecular orbital method suggested the existence of a compound that is energetically stabilized and 43 compounds with expectable kinetic stability.


2021 ◽  
Author(s):  
Takayuki OHMAE

To increase the number of synthetic targets having Y-aromaticity, we proposed (<i>n, l, m</i>)-tridentenes, in which the lengths of the three linear conjugated systems, extending from the central atom of the Y-shaped structure of n-tridentene were made irregular. The calculation results obtained using the semiempirical molecular orbital method suggested the existence of a compound that is energetically stabilized and 43 compounds with expectable kinetic stability.


2015 ◽  
Vol 36 (12) ◽  
pp. 934-939 ◽  
Author(s):  
Matthew Welborn ◽  
Jiahao Chen ◽  
Lee-Ping Wang ◽  
Troy Van Voorhis

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