scholarly journals Mapping the Structure of Oxygen-Doped Wurtzite Aluminum Nitride Coatings from Ab Initio Random Structure Search and Experiments

2021 ◽  
Vol 13 (4) ◽  
pp. 5762-5771
Author(s):  
Piero Gasparotto ◽  
Maria Fischer ◽  
Daniele Scopece ◽  
Maciej O. Liedke ◽  
Maik Butterling ◽  
...  



2021 ◽  
Vol 200 ◽  
pp. 110806
Author(s):  
Wanaruk Chaimayo ◽  
Prutthipong Tsuppayakorn-aek ◽  
Prayoonsak Pluengphon ◽  
Komsilp Kotmool ◽  
Teerachote Pakornchote ◽  
...  


2006 ◽  
Vol 47 (7) ◽  
pp. 1671-1676 ◽  
Author(s):  
Motohiro Yamada ◽  
Hajime Nakamura ◽  
Toshiaki Yasui ◽  
Masahiro Fukumoto ◽  
Koyata Takahashi




2017 ◽  
Vol 19 (38) ◽  
pp. 25949-25960 ◽  
Author(s):  
Miri Zilka ◽  
Dmytro V. Dudenko ◽  
Colan E. Hughes ◽  
P. Andrew Williams ◽  
Simone Sturniolo ◽  
...  

The AIRSS method generates crystal structures for m-aminobenzoic acid; comparison is made to experimental powder X-ray diffraction and MAS NMR.



2016 ◽  
Vol 18 (15) ◽  
pp. 10173-10181 ◽  
Author(s):  
Robert F. Moran ◽  
David McKay ◽  
Chris J. Pickard ◽  
Andrew J. Berry ◽  
John M. Griffin ◽  
...  

Ab initio random structure searching is employed to generate candidate structures of hydrous wadsleyite, predicting NMR parameters for experimental comparison.







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