scholarly journals Ab Initio Modeling of Magnetic Materials in the High-Temperature Paramagnetic Phase

2021 ◽  
Author(s):  
Davide Gambino
Keyword(s):  
High Temperature ◽  
Ab Initio ◽  
Magnetic Materials ◽  
Paramagnetic Phase ◽  
Ab Initio Modeling

scholarly journals Ab-initio modeling and experimental investigation of properties of ultra-high temperature solid solutions TaxZr1-xC

2019 ◽  
Vol 778 ◽  
pp. 480-486 ◽  
Author(s):  
S. Vorotilo ◽  
K. Sidnov ◽  
I. Yu. Mosyagin ◽  
A.V. Khvan ◽  
E.A. Levashov ◽  
...  
Keyword(s):  
Experimental Investigation ◽  
High Temperature ◽  
Ab Initio ◽  
Solid Solutions ◽  
Ab Initio Modeling ◽  
Ultra High Temperature

Periodic and High-Temperature Disordered Conformations of Polytetrafluoroethylene Chains:  An ab Initio Modeling

2006 ◽  
Vol 128 (4) ◽  
pp. 1099-1108 ◽  
Author(s):  
Maddalena D'Amore ◽  
Giovanni Talarico ◽  
Vincenzo Barone
Keyword(s):  
High Temperature ◽  
Ab Initio ◽  
Ab Initio Modeling

Ab initio modeling of boron clustering in silicon

2000 ◽  
Vol 77 (13) ◽  
pp. 2018-2020 ◽  
Author(s):  
Xiang-Yang Liu ◽  
Wolfgang Windl ◽  
Michael P. Masquelier
Keyword(s):  
Ab Initio ◽  
Ab Initio Modeling

Measurement and ab initio modeling of the inelastic neutron scattering of solid N-methylformamide

1998 ◽  
Vol 108 (1) ◽  
pp. 351-358 ◽  
Author(s):  
Petr Bouř ◽  
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

2021 ◽  
pp. 173-200
Author(s):  
Jia‐Bo Le ◽  
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

2021 ◽  
Author(s):  
Haili Jia ◽  
Canhui Wang ◽  
Chao Wang ◽  
Paulette Clancy
Keyword(s):  
Ab Initio ◽  
Ab Initio Modeling
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