Dehalogenation of 5-Halouracils after Low Energy Electron Attachment:  A Density Functional Theory Investigation

2002 ◽  
Vol 106 (46) ◽  
pp. 11248-11253 ◽  
Author(s):  
Xifeng Li ◽  
Léon Sanche ◽  
Michael D. Sevilla
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Electron Attachment ◽  
Low Energy ◽  
Energy Electron ◽  
Functional Theory ◽  
Low Energy Electron

The (100) surface of the Al13Co4 quasicrystalline approximant

2012 ◽  
Vol 1517 ◽  
Author(s):  
Vincent Fournée ◽  
Émilie Gaudry ◽  
Marie-Cécile de Weerd ◽  
Renee D. Diehl ◽  
Julian Ledieu
Keyword(s):  
Density Functional Theory ◽  
Electron Diffraction ◽  
Density Functional ◽  
Low Energy ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Low Energy Electron Diffraction ◽  
Surface Models ◽  
Low Energy Electron

ABSTRACTThe structure of the (100) surface of the orthorhombic Al13Co4quasicrystalline approximant is described based on a combined scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), and density functional theory (DFT) study. We discuss the interplay between the surface structure and the cluster substructure of this approximant as well as possible off-stoichiometry effects that could explain the discrepancies found in the literature on possible surface models.

scholarly journals Complex magnetism of the two-dimensional antiferromagnetic Ge2F: from a Néel spin-texture to a potential antiferromagnetic skyrmion

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8654-8663
Author(s):  
Fatima Zahra Ramadan ◽  
Flaviano José dos Santos ◽  
Lalla Btissam Drissi ◽  
Samir Lounis
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Low Energy ◽  
Two Dimensional ◽  
Functional Theory ◽  
2D Material ◽  
Energy Models ◽  
Spin Texture

Based on density functional theory combined with low-energy models, we explore the magnetic properties of a hybrid atomic-thick two-dimensional (2D) material made of germanene doped with fluorine atoms in a half-fluorinated configuration (Ge2F).

scholarly journals Selective bond cleavage in RAFT agents promoted by low‐energy electron attachment

2021 ◽  
Author(s):  
Farhad Izadi ◽  
Eugene Arthur-Baidoo ◽  
Lisa T. Strover ◽  
Li-Juan Yu ◽  
Michelle L. Coote ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Electron Attachment ◽  
Low Energy ◽  
Energy Electron ◽  
Low Energy Electron
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