WHY DNA ELECTRICAL PROPERTIES CHANGE ON MOLECULAR OXYGEN DOPING: A QUANTUM-CHEMICAL STUDY

2004 ◽  
Vol 18 (16) ◽  
pp. 785-790 ◽  
Author(s):  
E. B. STARIKOV
Keyword(s):  
Electrical Properties ◽  
Molecular Oxygen ◽  
Electrical Conduction ◽  
Base Pair ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Chemical Mechanisms ◽  
Physico Chemical ◽  
Insight Into

A detailed semiempirical quantum-chemical study is reported on homogeneous adenosine-thymidine and guanosine-cytidine base pair steps, both pure ones and their complexes with oxygen molecules. The results of this study help gain detailed insight into physico-chemical mechanisms of electrical conduction control in DNA molecules when doping them with molecular oxygen or related molecules.

A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters

2019 ◽  
Vol 21 (38) ◽  
pp. 21577-21587 ◽  
Author(s):  
Lisa Warczinski ◽  
Christof Hättig
Keyword(s):  
Catalytic Hydrogenation ◽  
Quantum Chemical ◽  
Hydrogen Adsorption ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Palladium Clusters ◽  
Hydrogenation Reactions ◽  
Supported Palladium ◽  
Insight Into

A key step for achieving better insight into catalytic hydrogenation reactions is to understand in detail the process of hydrogen adsorption on the catalyst.

Experimental and quantum-chemical study of the mechanism of oxidation of 5-hydroxy-6-methyl-uracil by molecular oxygen in the presence of copper(II) ions

2009 ◽  
Vol 45 (4) ◽  
pp. 461-467 ◽  
Author(s):  
Yu. I. Murinov ◽  
T. R. Nugumanov ◽  
S. P. Ivanov ◽  
M. E. Kletskii ◽  
I. F. Kamaletdinov ◽  
...  
Keyword(s):  
Molecular Oxygen ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Mechanism Of Oxidation

Quantum-Chemical Study of a Water-Mediated Uracil−Cytosine Base Pair

1999 ◽  
Vol 121 (11) ◽  
pp. 2605-2606 ◽  
Author(s):  
Maria Brandl ◽  
Michael Meyer ◽  
Jürgen Sühnel
Keyword(s):  
Base Pair ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

New Insight into the Formation of Nitrogen Sulfide: A Quantum Chemical Study

2010 ◽  
Vol 114 (1) ◽  
pp. 509-515 ◽  
Author(s):  
Priscila S. S. Pereira ◽  
Luiz G. M. Macedo ◽  
André S. Pimentel
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Insight Into
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