Structure−Property Relationships in Phosphole-Containing π-Conjugated Systems:  A Quantum Chemical Study

2003 ◽  
Vol 107 (6) ◽  
pp. 838-846 ◽  
Author(s):  
David Delaere ◽  
Minh Tho Nguyen ◽  
Luc G. Vanquickenborne
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Structure Property ◽  
Conjugated Systems ◽  
Structure Property Relationships

Sigmatropic proton shifts: a quantum chemical study

2017 ◽  
Vol 15 (35) ◽  
pp. 7439-7446 ◽  
Author(s):  
Yi Wang ◽  
Zhi-Xiang Yu
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Conjugated Systems

Insights into [1,j] sigmatropic proton shifts in polyenyl anions and related conjugated systems have been revealed by quantum chemical calculations.

A quantum chemical study of the acidity of acetylene and 1,2-dihydrobuckminsterfullerene de-rivatives

2018 ◽  
Vol 59 (1) ◽  
pp. 51-53
Author(s):  
M. V. Makarova ◽  
◽  
S. G. Semenov ◽  
R. R. Kostikov ◽  
◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study
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