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411 to 420 of 4,784 Results
2HP.zip
Nov 18, 2024 - Models and Prepared Datasets for Iterative Modeling of Two Heat Pumps
ZIP Archive - 183.8 MB - MD5: bb5ace5f67481d736046a427fcf62f73
ASTE-v3.3.0.tar.gz
Nov 12, 2024 - ASTE: An artificial solver testing environment for partitioned coupling with preCICE
Gzip Archive - 1.1 MB - MD5: 1a67cfc95770527a7c8ed4c84b1c4baf
ASTE version v3.3.0 source code.
ASTE-v3.3.0-turbine-tutorial.tar.gz
Nov 12, 2024 - ASTE: An artificial solver testing environment for partitioned coupling with preCICE
Gzip Archive - 257.8 KB - MD5: a6381f05e63b42a37e9ef571e58ac5b9
A tutorial case with documentation using ASTE for a turbine blade. The case is hosted in the preCICE tutorials repository.
HPLC.zip
Nov 12, 2024 - Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2 Type Mechanism”
ZIP Archive - 3.8 MB - MD5: ec35f12ecb117b1b09d00ed0689fd695
HPLC Chromatograms
Primary NMR data files.zip
Nov 12, 2024 - Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2 Type Mechanism”
ZIP Archive - 440.2 MB - MD5: af09c880a0147b5e612c34967b6950cf
NMR.zip
Nov 11, 2024 - Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"
ZIP Archive - 78.1 MB - MD5: ae425e86ff61c0468785b9ef38ec00de
Hesse_Matrices.zip
Nov 11, 2024 - Data for: Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten
ZIP Archive - 13.1 MB - MD5: 4f1b005bb20cbed2bc070f9717ef574b
All Hessian Matrix files for thermodynamic integration
Imag_Modes.zip
Nov 11, 2024 - Data for: Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten
ZIP Archive - 32.5 KB - MD5: a56b391cbf1092bd61d6f24efafcd018
All imaginary mode files for transition state
POSCARs.zip
Nov 11, 2024 - Data for: Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten
ZIP Archive - 26.4 KB - MD5: 6e6e36dec5a8361508601b8a3111ae5d
All DFT and thermodynamic integration POSCAR files
01_charmm36_forcefield.tar.gz
Nov 7, 2024 - Supplementary Data for 'Vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3'
Gzip Archive - 860.5 KB - MD5: 347ba6c33c95d395b30dc59e99c60c4c
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