scholarly journals A Molecular-Orbital Model for Amorphous Group IV Semiconductors

1997 ◽  
Vol 20 (1) ◽  
pp. 41-44
Author(s):  
M. A. Grado-Caffaro ◽  
M. Grado-Caffaro
Keyword(s):  
Theoretical Model ◽  
Molecular Orbital ◽  
State Of The Art ◽  
Substantial Improvement ◽  
Group Iv ◽  
The State ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Group Iv Semiconductors ◽  
Molecular Orbital Model

A theoretical model based on standard molecular-orbital theory and extended Hückel approach is proposed. This model is valid for amorphous group IV semiconductors and represents a substantial improvement of the state of the art.

A MATHEMATICAL FORMULATION FOR FREE SPIN DENSITY AND ELECTRONIC DENSITY OF STATES IN K2CuCl4 · 2H2O-TYPE CRYSTALS

2002 ◽  
Vol 16 (20) ◽  
pp. 751-756 ◽  
Author(s):  
M. A. GRADO-CAFFARO ◽  
M. GRADO-CAFFARO
Keyword(s):  
Theoretical Model ◽  
Spin Density ◽  
Molecular Orbital ◽  
Density Of States ◽  
Mathematical Formulation ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Electronic Density ◽  
Electronic Density Of States ◽  
Molecular Bonding

A theoretical model based upon molecular orbital theory for superexchange interaction in K 2 CuCl 4 · 2H 2 O -type crystals is presented; atomic d- and p-orbitals as well as molecular bonding and antibonding orbitals are considered. In particular, the free spin density and the electronic density of states are calculated.

Bonding in Transition Metal Silyl Dimers. Molecular Orbital Theory

1989 ◽  
Author(s):  
Alfred B. Anderson ◽  
Paul Shiller ◽  
Eugene A. Zarate ◽  
Claire A. Tessier-Youngs ◽  
Wiley J. Youngs
Keyword(s):  
Transition Metal ◽  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory

scholarly journals A Molecular Orbital Theory of Reactivity in the Hydrogen Migration Polymerization of Acrylamides

1966 ◽  
Vol 87 (1) ◽  
pp. 20-26,A1 ◽  
Author(s):  
Teijiro YONEZAWA ◽  
Kiyoshi SHIMIZU ◽  
Hiroshi KATO ◽  
Kenichi FUKUI
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Hydrogen Migration
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