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2021 ◽  
Vol 22 (S3) ◽  
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Baptiste Bienvenu ◽  
Lucile Dezerald ◽  
David Rodney
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Yield Criterion ◽  
Screw Dislocations ◽  
Ab Initio Modeling

scholarly journals Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice

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Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Host Lattice ◽  
Redox Potentials ◽  
Ab Initio Prediction

Ab initio modeling of boron clustering in silicon

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Keyword(s):  
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Cheok N. Tam ◽  
Jana Sopková ◽  
Frans R. Trouw
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Ab Initio Modeling

Ab initio modeling of electrochemical interfaces and determination of electrode potentials

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Xiao‐Hui Yang ◽  
Yong‐Bing Zhuang ◽  
Feng Wang ◽  
Jun Cheng
Keyword(s):  
Ab Initio ◽  
Ab Initio Modeling ◽  
Electrode Potentials ◽  
Electrochemical Interfaces

Ab Initio Modeling of Near-Edge EELS Spectra for Chemisorbed Molecules

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Keyword(s):  
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Ab Initio Modeling
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