Quantum chemical study of the role of zinc oxide in the synthesis of methanol on oxide catalysts containing cuprous ions in the molecular model approximation

1988 ◽  
Vol 37 (2) ◽  
pp. 399-401
Author(s):  
M. B. Kuz'minskii ◽  
A. A. Bagaturyants ◽  
V. B. Kazanskii
Keyword(s):  
Zinc Oxide ◽  
Quantum Chemical ◽  
Molecular Model ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Oxide Catalysts ◽  
Model Approximation ◽  
Synthesis Of Methanol ◽  
Cuprous Ions

ChemInform Abstract: Quantum Chemical Study of the Adsorption of Water on Zinc Oxide Surface.

ChemInform ◽  
2010 ◽  
Vol 25 (15) ◽  
pp. no-no
Author(s):  
J. B. L. MARTINS ◽  
E. LONGO ◽  
J. G. R. TOSTES ◽  
C. A. TAFT ◽  
J. ANDRES
Keyword(s):  
Zinc Oxide ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Oxide Surface ◽  
Adsorption Of Water

The role of arsenic in the hydrolysis and DNA metalation processes in an arsenous acid–platinum(ii) anticancer complex

2017 ◽  
Vol 19 (2) ◽  
pp. 1328-1334 ◽  
Author(s):  
T. Marino ◽  
A. Parise ◽  
N. Russo
Keyword(s):  
Anticancer Drugs ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Purine Base

A DFT quantum chemical study on the aquation process of [Pt(μ-NHC(CH3)O)2ClAs(OH)2] arsenoplatinum compound and DNA purine base metalation by its aquated product has been undertaken to examine the differences and similarities with previously proposed platinum containing anticancer drugs.

Dominant Role of C−Br···N Halogen Bond in Molecular Self-Organization. Crystallographic and Quantum-Chemical Study of Schiff-Base-Containing Triazoles

2004 ◽  
Vol 108 (33) ◽  
pp. 12327-12332 ◽  
Author(s):  
Sławomir Berski ◽  
Zbigniew Ciunik ◽  
Krzysztof Drabent ◽  
Zdzisław Latajka ◽  
Jarosław Panek
Keyword(s):  
Schiff Base ◽  
Quantum Chemical ◽  
Halogen Bond ◽  
Dominant Role ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Self Organization
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