scholarly journals First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge

2010 ◽  
Vol 12 (21) ◽  
pp. 5619 ◽  
Author(s):  
Delphine Cabaret ◽  
Amélie Bordage ◽  
Amélie Juhin ◽  
Mounir Arfaoui ◽  
Emilie Gaudry
Keyword(s):  
Electronic Structure ◽  
Transition Metals ◽  
Absorption Spectra ◽  
Structure Analysis ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
X Ray Absorption

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

First-Principles Calculations of K-shell X-ray Absorption Spectra for Warm Dense Ammonia

2021 ◽  
Author(s):  
Zi Li ◽  
Wei-Jie Li ◽  
Cong Wang ◽  
Da-fang Li ◽  
Wei Kang ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
X Ray Absorption

First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen

2016 ◽  
Vol 23 (5) ◽  
pp. 053304 ◽  
Author(s):  
Zi Li ◽  
Shen Zhang ◽  
Cong Wang ◽  
Wei Kang ◽  
Ping Zhang
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
X Ray Absorption

First-principles calculations of X-ray absorption spectra for warm dense methane

2017 ◽  
Vol 24 (9) ◽  
pp. 092705
Author(s):  
Zi Li ◽  
Cong Wang ◽  
Dafang Li ◽  
Wei Kang ◽  
Ping Zhang
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Electronic Structure Analysis of Iron(III)-Porphyrin Complexes by X-ray Absorption Spectra at the C, N and Fe K-Edges

2005 ◽  
Vol 21 (3) ◽  
pp. 309-314 ◽  
Author(s):  
Hisao YAMASHIGE ◽  
Shuji MATSUO ◽  
Tsutomu KURISAKI ◽  
Rupert C. C. PERERA ◽  
Hisanobu WAKITA
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Structure Analysis ◽  
X Ray ◽  
X Ray Absorption

The electronic structure of defect chalcopyrite CdGa2Se4 as determined from first principles calculations and X-ray spectroscopy studies

2015 ◽  
Vol 56 (3) ◽  
pp. 492-496 ◽  
Author(s):  
A. A. Lavrentyev ◽  
B. V. Gabrelian ◽  
P. N. Shkumat ◽  
I. Ya. Nikiforov ◽  
O. V. Parasyuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
Spectroscopy Studies
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