Electronic Structure and Chemical Reactivity of Metal Oxides-Water Interfaces

2001 ◽  
pp. 124-141 ◽  
Author(s):  
Thanh N. Truong ◽  
Michael A. Johnson ◽  
Eugene V. Stefanovich
Keyword(s):  
Electronic Structure ◽  
Metal Oxides ◽  
Chemical Reactivity

The Electronic Structure of Metal Oxides

2005 ◽  
pp. 133-194 ◽  
Author(s):  
Y Kim ◽  
M Stoltzfus ◽  
H Mizoguchi ◽  
P Woodward
Keyword(s):  
Electronic Structure ◽  
Metal Oxides ◽  
Structure Of Metal

scholarly journals Influence of shallow core-level hybridization on the electronic structure of post-transition-metal oxides studied using soft X-ray emission and absorption

2003 ◽  
Vol 68 (16) ◽  
Author(s):  
Cormac McGuinness ◽  
Cristian B. Stagarescu ◽  
Philip J. Ryan ◽  
James E. Downes ◽  
Dongfeng Fu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Core Level ◽  
X Ray

Nanosession: Interplay Between Strain and Electronic Structure in Metal Oxides

2013 ◽  
pp. 377-387
Author(s):  
Vladimir Laukhin ◽  
Olivier Copie ◽  
Marcelo Rozenberg ◽  
Karim Bouzehouane ◽  
éric Jacquet ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Metal Oxides

The electronic structure of alkali metal oxides

2010 ◽  
Vol 4 (1) ◽  
pp. 20-28 ◽  
Author(s):  
Yu. N. Zhuravlev ◽  
N. G. Kravchenko ◽  
O. S. Obolonskaya
Keyword(s):  
Electronic Structure ◽  
Alkali Metal ◽  
Metal Oxides

A theoretical investigation of the isomers of diazomethane (CH2N2). I. Geometry, bonding, and chemical reactivity

1973 ◽  
Vol 26 (3) ◽  
pp. 461 ◽  
Author(s):  
BT Hart
Keyword(s):  
Electronic Structure ◽  
Theoretical Investigation ◽  
Electrostatic Potential ◽  
Chemical Reactivity ◽  
Structural Isomers

A searching theoretical investigation has been carried out on the five structural isomers of diazomethane, CH2N2; the isomers are diazomethane, cyanamide, isocyanamide, nitrilimine, and carbodiimide. The non- empirically calculated structures for the latter three compounds are the first to be reported. ��� Use has been made of localized exclusive orbitals to help explain the bonding and electronic structure in this series of molecules. ��� In addition, interesting use has been made of electrostatic potential maps in assessing positions of high nucleophilicity in each isomer. This information has allowed mechanistic pathways to be postulated for the protonation of diazomethane and cyanamide and for the production of isocyanamide from diazomethane.

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