ChemInform Abstract: Electronic Charge Distribution and Lewis Acidity of Surface Aluminum Atoms in γ-Al2O3: A Quantum-Chemical Model.

ChemInform ◽  
2010 ◽  
Vol 22 (23) ◽  
pp. no-no
Author(s):  
M. B. FLEISHER ◽  
L. O. GOLENDER ◽  
M. V. SHIMANSKAYA
Keyword(s):  
Charge Distribution ◽  
Quantum Chemical ◽  
Lewis Acidity ◽  
Chemical Model ◽  
Electronic Charge ◽  
Electronic Charge Distribution ◽  
Quantum Chemical Model

Stereochemistry of nucleic acids and polynucleotides III. Electronic charge distribution

Biopolymers ◽  
1971 ◽  
Vol 10 (7) ◽  
pp. 1159-1167 ◽  
Author(s):  
V. Renugopalakrishnan ◽  
A. V. Lakshminarayanan ◽  
V. Sasisekharan
Keyword(s):  
Nucleic Acids ◽  
Charge Distribution ◽  
Electronic Charge ◽  
Electronic Charge Distribution

F-CENTER IMPACT ON PHOTOELECTROCHEMICAL PROPERTIES IN HEMATITE

2010 ◽  
Vol 24 (18) ◽  
pp. 1963-1970 ◽  
Author(s):  
ARVIDS STASHANS ◽  
RICHARD RIVERA
Keyword(s):  
Experimental Data ◽  
Optical Properties ◽  
Oxygen Vacancy ◽  
Quantum Chemical ◽  
Vacancy Defect ◽  
Chemical Model ◽  
Photoelectrochemical Properties ◽  
Structural And Optical Properties ◽  
F Center ◽  
Quantum Chemical Model

Structural and optical properties of F-center (two electrons trapped by an oxygen vacancy) defect in hematite have been studied using a quantum-chemical model. Calculated absorption energies, 0.9 eV and 3.6 eV, are discussed in terms of the available experimental data. An explanation for the origin of experimentally observed electron depletion in hematite is proposed.

A Quantum-Chemical Model of Active Centers of Electrochemical Corrosion of Metals

2005 ◽  
Vol 41 (1) ◽  
pp. 7-14 ◽  
Author(s):  
I. N. Shapovalova ◽  
G. O. Tatarchenko ◽  
I. I. Zakharov ◽  
M. F. Tyupalo
Keyword(s):  
Quantum Chemical ◽  
Electrochemical Corrosion ◽  
Chemical Model ◽  
Active Centers ◽  
Quantum Chemical Model
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