Theoretical analysis of electronic and structural properties of anhydrous calcium oxalate

2009 ◽  
Vol 99 (3) ◽  
pp. 947-955 ◽  
Author(s):  
A. Koleżyński ◽  
A. Małecki
Keyword(s):  
Theoretical Analysis ◽  
Calcium Oxalate ◽  
Structural Properties ◽  
Electronic And Structural Properties

Electronic and structural properties of fluorene–thiophene copolymers as function of the composition ratio between the moieties: a theoretical study

2018 ◽  
Vol 20 (31) ◽  
pp. 20447-20458 ◽  
Author(s):  
L. Benatto ◽  
C. F. N. Marchiori ◽  
M. G. E. da Luz ◽  
M. Koehler
Keyword(s):  
Dipole Moment ◽  
Binding Energy ◽  
Theoretical Analysis ◽  
Structural Properties ◽  
Theoretical Study ◽  
Electronic Devices ◽  
Exciton Binding Energy ◽  
Molecular Structures ◽  
Composition Ratio ◽  
Electronic And Structural Properties

Through theoretical analysis, we study relevant properties of some molecular structures formed by oligothiophenes (T) and dioctylfluorenes (F) units, like the exciton binding energy (Eb) and dipole moment, important for the efficiency of different kinds of optical and electronic devices.

Electronic and structural properties ofLa3Ni2B2N3

1995 ◽  
Vol 51 (13) ◽  
pp. 8668-8671 ◽  
Author(s):  
David J. Singh ◽  
Warren E. Pickett
Keyword(s):  
Structural Properties ◽  
Electronic And Structural Properties

Electronic and structural properties of Sr2YSbO6

2007 ◽  
Vol 398 (2) ◽  
pp. 248-251 ◽  
Author(s):  
O. Ortiz-Diaz ◽  
M. Jairo Arbey Rodríguez ◽  
F. Fajardo ◽  
D.A. Landínez Téllez ◽  
J. Roa-Rojas
Keyword(s):  
Structural Properties ◽  
Electronic And Structural Properties

A First-Principles Study of the Electronic and Structural Properties of γ-TaON.

ChemInform ◽  
2007 ◽  
Vol 38 (27) ◽  
Author(s):  
Holger Wolff ◽  
Thomas Bredow ◽  
Martin Lerch ◽  
Heikko Schilling ◽  
Elisabeth Irran ◽  
...  
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
First Principles Study ◽  
Electronic And Structural Properties

Electronic and structural properties of the layered ternary carbide Ti3AlC2

2001 ◽  
Vol 11 (9) ◽  
pp. 2335-2339 ◽  
Author(s):  
Y. C. Zhou ◽  
X. H. Wang ◽  
Z. M. Sun ◽  
S. Q. Chen
Keyword(s):  
Structural Properties ◽  
Ternary Carbide ◽  
Electronic And Structural Properties

Electronic and structural properties of implanted xenon in amorphous silicon

2007 ◽  
Vol 90 (16) ◽  
pp. 164104 ◽  
Author(s):  
P. F. Barbieri ◽  
R. Landers ◽  
F. C. Marques
Keyword(s):  
Amorphous Silicon ◽  
Structural Properties ◽  
Electronic And Structural Properties

Electronic and Structural Properties of Low-lying Excited States of Vitamin B12

2011 ◽  
Vol 115 (45) ◽  
pp. 13304-13319 ◽  
Author(s):  
Piotr Lodowski ◽  
Maria Jaworska ◽  
Karina Kornobis ◽  
Tadeusz Andruniów ◽  
Pawel M. Kozlowski
Keyword(s):  
Vitamin B12 ◽  
Structural Properties ◽  
Excited States ◽  
Electronic And Structural Properties
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