Original Research
Published on 14 Aug 2018
Phonons and Thermal Expansion Behavior of NiSi and NiGe
in Chemical Physics and Physical Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2018.00331
- 4,345 views
- 6 citations
5 articles related to "Principles Calculations"
Articles
Original Research
Published on 10 Feb 2025
Effect of microstructure and neutron irradiation defects on deuterium retention in SiC
in Nuclear Materials
Frontiers in Nuclear Engineering
doi 10.3389/fnuen.2025.1534820
- 2,673 views
Original Research
Published on 27 Aug 2019
Extremely Large Non-equilibrium Tunnel Magnetoresistance Ratio in CoRhMnGe Based Magnetic Tunnel Junction by Interface Modification
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2019.00550
- 3,445 views
- 18 citations
![Observation of the Same New Sheet Topology in Both the Layered Uranyl Oxide-Phosphate Cs11[(UO2)12(PO4)3O13] and the Layered Uranyl Oxyfluoride-Phosphate Rb11[(UO2)12(PO4)3O12F2] Prepared by Flux Crystal Growth](https://www.frontiersin.org/files/myhome article library/480901/480901_Thumb_400.jpg)
Original Research
Published on 21 Aug 2019
Observation of the Same New Sheet Topology in Both the Layered Uranyl Oxide-Phosphate Cs11[(UO2)12(PO4)3O13] and the Layered Uranyl Oxyfluoride-Phosphate Rb11[(UO2)12(PO4)3O12F2] Prepared by Flux Crystal Growth
in Inorganic Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2019.00583
- 3,326 views
- 13 citations
Original Research
Published on 16 Apr 2019
First Principles Calculations on the Stoichiometric and Defective (101) Anatase Surface and Upon Hydrogen and H2Pc Adsorption: The Influence of Electronic Exchange and Correlation and of Basis Set Approximations
in Chemical Physics and Physical Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2019.00220
- 4,961 views
- 8 citations