A Density Functional Study of Substituent Effects on the O−H and O−CH3Bond Dissociation Energies in Phenol and Anisole

1996 ◽  
Vol 61 (22) ◽  
pp. 7904-7910 ◽  
Author(s):  
Yun-Dong Wu ◽  
David K. W. Lai
Keyword(s):  
Density Functional ◽  
Substituent Effects ◽  
Functional Study ◽  
Density Functional Study ◽  
Dissociation Energies

Substituent effects on furan-phenylene copolymer for photovoltaic improvement: A density functional study

2018 ◽  
Vol 510 ◽  
pp. 60-69 ◽  
Author(s):  
Nuttaporn Janprapa ◽  
Viwat Vchirawongkwin ◽  
Chinapong Kritayakornupong
Keyword(s):  
Density Functional ◽  
Substituent Effects ◽  
Functional Study ◽  
Density Functional Study

Substituent Effects on the C−H Bond Dissociation Energy of Toluene. A Density Functional Study

1996 ◽  
Vol 61 (2) ◽  
pp. 746-750 ◽  
Author(s):  
Yun-Dong Wu ◽  
Chui-Ling Wong ◽  
Kyle W. K. Chan ◽  
Guo-Zhen Ji ◽  
Xi-Kui Jiang
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Density Functional ◽  
Substituent Effects ◽  
Functional Study ◽  
Density Functional Study ◽  
Bond Dissociation

A density functional study towards substituent effects on anion sensing with urea receptors

2010 ◽  
Vol 16 (9) ◽  
pp. 1441-1448 ◽  
Author(s):  
Amrita Ghosh ◽  
D. Amilan Jose ◽  
Amitava Das ◽  
Bishwajit Ganguly
Keyword(s):  
Density Functional ◽  
Substituent Effects ◽  
Functional Study ◽  
Anion Sensing ◽  
Density Functional Study
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