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S60_60 a.txt
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
Plain Text - 280.7 KB - MD5: c9063de53b673e44f084f652e832a6e3
S60_60 b.txt
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
Plain Text - 292.3 KB - MD5: e1af98c903a9a5d1c60f30baef5708d4
S60_60 c.txt
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
Plain Text - 296.1 KB - MD5: 7e5ff415c2d7e6ad0e098ddee3b65189
S60_60 d.txt
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
Plain Text - 281.4 KB - MD5: c9b1905bc8c2fcf3a551ed55a4f0aa04
S60-60 Hist.txt
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
Plain Text - 544 B - MD5: c1533da50c7f734e42f426dcdecf56a9
S60-60 Hist.txt
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
Plain Text - 1.3 KB - MD5: 8f209d75c68ec482767dd172156520ac
S60_60.txt
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
Plain Text - 319.4 KB - MD5: 4eeec98dbff31257ff3c9faead89a837
XRD Patterns.xlsx
Dec 15, 2023 - Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion
MS Excel Spreadsheet - 67.6 KB - MD5: 488f8ba2e1b8ee72027d7ecefa9a9499
Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition
Dec 14, 2023 - Materials Design
Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/DARUS-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF]
Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentials (MTPs) and high-MTPs (for seperate hcp and bcc phases and combined...
combined_MTPs.tar.gz
Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition
Gzip Archive - 480.3 KB - MD5: 0d802a23afdce2c62f307df8e7f67524
The combined MTPs for Ti, Zr, and Hf, fitted to the training sets for both the hcp and bcc phases.
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