Structure and predicted near edge x-ray absorption fine structure spectra for the surface of liquid formamide from molecular-dynamics simulation

2000 ◽  
Vol 113 (8) ◽  
pp. 3374-3380 ◽  
Author(s):  
Mark C. Wojcik ◽  
Kersti Hermansson ◽  
Hans O. G. Siegbahn
Keyword(s):  
Molecular Dynamics ◽  
Fine Structure ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Hydrogen and Higher Shell Contributions in Zn2+, Ni2+, and Co2+Aqueous Solutions:  An X-ray Absorption Fine Structure and Molecular Dynamics Study

2002 ◽  
Vol 124 (9) ◽  
pp. 1958-1967 ◽  
Author(s):  
Paola D'Angelo ◽  
Vincenzo Barone ◽  
Giovanni Chillemi ◽  
Nico Sanna ◽  
Wolfram Meyer-Klaucke ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Fine Structure ◽  
Aqueous Solutions ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Model Extended X-ray Absorption Fine Structure (EXAFS) Spectra from Molecular Dynamics Data for Ca2+and Al3+Aqueous Solutions

2000 ◽  
Vol 104 (45) ◽  
pp. 10467-10472 ◽  
Author(s):  
Daniel Spångberg ◽  
Kersti Hermansson ◽  
Patric Lindqvist-Reis ◽  
Farideh Jalilehvand ◽  
Magnus Sandström ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Fine Structure ◽  
Aqueous Solutions ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption ◽  
Exafs Spectra
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