Molecular Ornstein–Zernike approach to the solvent effects on solute electronic structures in solution

2000 ◽  
Vol 113 (12) ◽  
pp. 4974 ◽  
Author(s):  
Norio Yoshida ◽  
Shigeki Kato
Keyword(s):  
Solvent Effects ◽  
Electronic Structures

Electronic structures and solvent effects of unsymmetrical neo-confused porphyrin: DFT and TDDFT–IEFPCM investigations

2016 ◽  
Vol 1081 ◽  
pp. 18-24 ◽  
Author(s):  
Hong-Yu Cao ◽  
Duan-Hui Si ◽  
Qian Tang ◽  
Xue-Fang Zheng ◽  
Ce Hao
Keyword(s):  
Solvent Effects ◽  
Electronic Structures

Electronic structures of carbazole and indole and the solvent effects on the electronic spectra

1964 ◽  
Vol 2 (2) ◽  
pp. 158-167 ◽  
Author(s):  
Noboru Mataga ◽  
Yoshikazu Torihashi ◽  
Kiyoshi Ezumi
Keyword(s):  
Solvent Effects ◽  
Electronic Spectra ◽  
Electronic Structures

The Nature of Oxide Surfaces: Topographic and Electronic Structure

1993 ◽  
Vol 51 ◽  
pp. 966-967
Author(s):  
Dawn A. Bonnell ◽  
Yong Liang
Keyword(s):  
Transition Metal Oxides ◽  
Electronic Structures ◽  
Recent Progress ◽  
Spatial Localization ◽  
Level Of Detail ◽  
Scanning Tunneling ◽  
Oxide Surfaces ◽  
Tunneling Microscopy ◽  
Considerable Effort ◽  
Complete Understanding

Recent progress in the application of scanning tunneling microscopy (STM) and tunneling spectroscopy (STS) to oxide surfaces has allowed issues of image formation mechanism and spatial resolution limitations to be addressed. As the STM analyses of oxide surfaces continues, it is becoming clear that the geometric and electronic structures of these surfaces are intrinsically complex. Since STM requires conductivity, the oxides in question are transition metal oxides that accommodate aliovalent dopants or nonstoichiometry to produce mobile carriers. To date, considerable effort has been directed toward probing the structures and reactivities of ZnO polar and nonpolar surfaces, TiO2 (110) and (001) surfaces and the SrTiO3 (001) surface, with a view towards integrating these results with the vast amount of previous surface analysis (LEED and photoemission) to build a more complete understanding of these surfaces. However, the spatial localization of the STM/STS provides a level of detail that leads to conclusions somewhat different from those made earlier.

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