The influence of formamide (model of protein unit) on the intramolecular proton transfer in the DNA simple base guanine: A density functional theory study

2008 ◽  
Vol 108 (9) ◽  
pp. 1589-1600 ◽  
Author(s):  
An-Guo Zhang ◽  
Hui Zhang ◽  
Zheng-Yu Zhou ◽  
Zhao-Kun Jia ◽  
Rui-Yan Hou
Keyword(s):  
Density Functional Theory ◽  
Proton Transfer ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Density Functional Theory Study ◽  
Functional Theory

The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study

2019 ◽  
Vol 6 (11) ◽  
pp. 1807-1815 ◽  
Author(s):  
Changming Li ◽  
Wei Guo ◽  
Panwang Zhou ◽  
Zhe Tang
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Proton Transfer ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dependent Density

The effects of the heteroatom and position on excited-state intramolecular proton transfer (ESIPT) of 2-[4′-(N-4,6-dichloro-1,3,5-triazi-n-2-yl)2′hydroxyphenyl]benzoxazole (4THBO) have been investigated via time-dependent density functional theory studies.

Sign in / Sign up

Export Citation Format

Share Document