C–C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach

2012 ◽  
Vol 136 (13) ◽  
pp. 134308 ◽  
Author(s):  
A. Boccia ◽  
V. Lanzilotto ◽  
A. G. Marrani ◽  
S. Stranges ◽  
R. Zanoni ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Molecular Electronics ◽  
Density Functional ◽  
Photoemission Spectroscopy ◽  
Theory Approach ◽  
Functional Theory ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

The near-edge X-ray-absorption fine-structure of O2 chemisorbed on Ag(110) surface studied by density functional theory

2013 ◽  
Vol 616 ◽  
pp. 178-185 ◽  
Author(s):  
Oscar Baseggio ◽  
Michele Romeo ◽  
Giovanna Fronzoni ◽  
Mauro Stener
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Density Functional ◽  
Functional Theory ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

scholarly journals Dopant activation mechanism of Bi wire-δ-doping into Si crystal, investigated with wavelength dispersive fluorescence x-ray absorption fine structure and density functional theory

2017 ◽  
Vol 29 (15) ◽  
pp. 155001 ◽  
Author(s):  
Koichi Murata ◽  
Christopher Kirkham ◽  
Masaru Shimomura ◽  
Kiyofumi Nitta ◽  
Tomoya Uruga ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Density Functional ◽  
Activation Mechanism ◽  
Functional Theory ◽  
Dopant Activation ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Scanning-Tunneling Microscopy, Near-Edge X-ray-Absorption Fine Structure, and Density-Functional Theory Studies of N2O Orientation on Pd(110)

2006 ◽  
Vol 45 (3B) ◽  
pp. 2290-2294 ◽  
Author(s):  
Kazuo Watanabe ◽  
Anton Kokalj ◽  
Hideyuki Horino ◽  
Izabela I. Rzeznicka ◽  
Kazutoshi Takahashi ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Extended X-ray Absorption Fine Structure and Density Functional Theory Studies on the Complexation Mechanism of Amidoximate Ligand to Uranyl Carbonate

2015 ◽  
Vol 55 (15) ◽  
pp. 4224-4230 ◽  
Author(s):  
Linjuan Zhang ◽  
Jing Su ◽  
Shitong Yang ◽  
Xiaojing Guo ◽  
Yunpeng Jia ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fine Structure ◽  
Density Functional ◽  
Functional Theory ◽  
X Ray ◽  
Absorption Fine ◽  
Uranyl Carbonate ◽  
X Ray Absorption ◽  
Complexation Mechanism
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