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.

scholarly journals Correction: A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters

2020 ◽  
Vol 22 (15) ◽  
pp. 8233-8234
Author(s):  
Lisa Warczinski ◽  
Christof Hättig
Keyword(s):  
Quantum Chemical ◽  
Hydrogen Adsorption ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Chem Phys ◽  
Palladium Clusters ◽  
Supported Palladium ◽  
Phys Chem Chem Phys

Correction for ‘A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters’ by Lisa Warczinski et al., Phys. Chem. Chem. Phys., 2019, 21, 21577–21587, DOI: 10.1039/c9cp04606b.

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 Dissociation of H2Molecule on Palladium Clusters

2004 ◽  
Vol 74 (7) ◽  
pp. 975-979 ◽  
Author(s):  
V. A. Matsura ◽  
N. S. Panina ◽  
V. V. Potekhin ◽  
V. B. Ukraintsev ◽  
K. A. Khokhryakov ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Palladium Clusters

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

Quantum chemical study of small palladium clusters

1998 ◽  
Vol 414 (1-2) ◽  
pp. 148-158 ◽  
Author(s):  
Irena Efremenko ◽  
Moshe Sheintuch
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Palladium Clusters
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