Electronic transitions of racemic ethylene-bridged bis(indenyl)-type siloxy substituted zirconocene dichlorides. A combined UV/VIS spectroscopic and theoretical study

2001 ◽  
pp. 91-96 ◽  
Author(s):  
Nora I. Mäkelä ◽  
Hilkka R. Knuuttila ◽  
Mikko Linnolahti ◽  
Tapani A. Pakkanen
Keyword(s):  
Theoretical Study ◽  
Electronic Transitions

A theoretical study of the structures and optical spectra of helical copper–silver clusters

2014 ◽  
Vol 16 (39) ◽  
pp. 21039-21048 ◽  
Author(s):  
Christopher J. Heard ◽  
Roy L. Johnston
Keyword(s):  
Significant Role ◽  
Theoretical Study ◽  
Response Spectra ◽  
Optical Response ◽  
Optical Spectra ◽  
Electronic Transitions ◽  
Silver Clusters ◽  
Local Geometry ◽  
Icosahedral Clusters

Optical response spectra of AgnCu13−n+ Bernal spiral clusters show subtle variations by dopant site and loading. Comparison to nanorod-like and icosahedral clusters shows local geometry plays a significant role in electronic transitions at the sub-nanoscale.

scholarly journals A theoretical study of desorption induced by electronic transitions in alkali halides

1989 ◽  
Vol 217 (3) ◽  
pp. A375
Author(s):  
Noriaki Itoh ◽  
A.M. Stoneham ◽  
A.H. Harker
Keyword(s):  
Theoretical Study ◽  
Alkali Halides ◽  
Electronic Transitions

Optical Signature of the GaN (1010) Surface

1996 ◽  
Vol 449 ◽  
Author(s):  
C. Noguez ◽  
R. Esquivel-Sirvent ◽  
D. R. Alfonso ◽  
S. E. Ulloa ◽  
D. A. Drabold
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dielectric Response ◽  
Theoretical Study ◽  
Tight Binding ◽  
Electronic Transitions ◽  
Surface Electronic Structure ◽  
Optical Signature ◽  
Tight Binding Method ◽  
Semi Empirical

ABSTRACTWe present a theoretical study of the optical properties of the GaN (1010) surface. We employed a semi-empirical tight-binding method to calculate the surface electronic structure. The parameters were adjusted to reproduce the correct band structure of the bulk wurzite GaN. These parameters were interpolated to the surface using Harrison’s rule. From the surface electronic structure the surface dielectric response was obtained. The dielectric response is analized in terms of surface-surface, and surface-bulk electronic transitions.

scholarly journals Theoretical Study of the Orientation Dependence of Charge-Transfer Excitations in Quinhydrones

1983 ◽  
Vol 38 (9) ◽  
pp. 1130-1135 ◽  
Author(s):  
Helmut Vogler
Keyword(s):  
Charge Transfer ◽  
Theoretical Study ◽  
Orientation Dependence ◽  
Mutual Orientation ◽  
Electronic Transitions ◽  
Layered Systems ◽  
Transition Energies ◽  
Good Agreement

Abstract The two longest wavelength electronic transitions of the quinhydrones 1 and the dependence of transition energies and intensities on the mutual orientation of hydro-quinone and p-benzoquinone is studied within semiempirical π-theory. The results are in good agreement with the experimental UV-VIS spectra of closely related cyclophane-quinhydrones. The study is extended to the yet unknown quadruple-layered systems 2 which consist of two quinhydrone moieties.

Theoretical study of local electronic transitions in the NiO(100) surface

1999 ◽  
Vol 421 (1-2) ◽  
pp. 106-115 ◽  
Author(s):  
M. Geleijns ◽  
C. de Graaf ◽  
R. Broer ◽  
W.C. Nieuwpoort
Keyword(s):  
Theoretical Study ◽  
Electronic Transitions
Sign in / Sign up

Export Citation Format

Share Document