DNA Bases Assembled on the Au(110)/Electrolyte Interface: A Combined Experimental and Theoretical Study

2015 ◽  
Vol 119 (7) ◽  
pp. 3123-3134 ◽  
Author(s):  
Princia Salvatore ◽  
Renat R. Nazmutdinov ◽  
Jens Ulstrup ◽  
Jingdong Zhang
Keyword(s):  
Theoretical Study ◽  
Dna Bases ◽  
Electrolyte Interface

A theoretical study on the binding and electrolytic splitting of hydrogen fluoride on Ni(111) and Ni(211)

2020 ◽  
Vol 22 (8) ◽  
pp. 4407-4415
Author(s):  
Stefan Mattsson ◽  
Beate Paulus
Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Dft Methods ◽  
Electrolyte Interface ◽  
Anhydrous Hydrogen Fluoride

Anhydrous hydrogen fluoride (HF) is electrochemically activated on Ni electrodes in the Simons process. We study the electrode/electrolyte interface using DFT methods and find the splitting of HF to be exothermic even at low cell potentials.

Theoretical study on the binding mechanism between N6-methyladenine and natural DNA bases

2012 ◽  
Vol 19 (3) ◽  
pp. 1089-1098 ◽  
Author(s):  
Qi-Xia Song ◽  
Zhen-Dong Ding ◽  
Jian-Hua Liu ◽  
Yan Li ◽  
Hai-Jun Wang
Keyword(s):  
Theoretical Study ◽  
Dna Bases ◽  
Binding Mechanism

Theoretical Study of the Interactions between Isolated DNA Bases and Various Groups IA and IIA Metal Ions by Ab Initio Calculations

2007 ◽  
Vol 139 (2) ◽  
pp. 89-100 ◽  
Author(s):  
Seyed Majid Hashemianzadeh ◽  
Shirin Faraji ◽  
Amir Hossein Amin ◽  
Sepideh Ketabi
Keyword(s):  
Metal Ions ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Theoretical Study ◽  
Dna Bases

Theoretical study of the interaction pattern and the binding affinity between procaine and DNA bases

2010 ◽  
Vol 939 (1-3) ◽  
pp. 44-52 ◽  
Author(s):  
Gang Lv ◽  
Zhaoxu Chen ◽  
Jie Zheng ◽  
Fadong Wei ◽  
Hui Jiang ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Theoretical Study ◽  
Interaction Pattern ◽  
Dna Bases
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