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7,511 to 7,520 of 7,624 Results
6-AAm.zip
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
ZIP Archive - 932.6 KB - MD5: 1fe8543934d3c4208431ac7b6d66d05e
6-NH2.zip
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
ZIP Archive - 939.7 KB - MD5: 0e96f1a54e355f9561b58aea786ed393
6-NHTFA.zip
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
ZIP Archive - 1.5 MB - MD5: 2b51008b78b5510a8f28ba69a2f47ba9
7-AAm.zip
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
ZIP Archive - 24.5 MB - MD5: fecd9072b4d7b010f358075b76b31b5f
9-OH.zip
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
ZIP Archive - 610.7 KB - MD5: 46829f7521a5b0f213de84099e6e6df5
9-VS.zip
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
ZIP Archive - 37.0 MB - MD5: 91be5e7c4f496c6b0bfc6165a0f466c9
Figure_2_energy barriers of the C-N-C-O rotation.dat
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
Fixed Field Text Data - 2.7 KB - MD5: 6fe0da3cfd0d5293c56eba5a524355cb
Figure_2_energy+barriers+of+the+C-N-C-O+rotation.tab
May 4, 2021 - Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"
Tabular Data - 2.6 KB - 3 Variables, 72 Observations - UNF:6:5F+vcHTYWzP6WFxNfehFGQ==
Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Apr 29, 2021 - Molecular Simulation
Kobayashi, Takeshi; Kraus, Hamzeh; Hansen, Niels; Fyta, Maria, 2021, "Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'", https://doi.org/10.18419/DARUS-1138, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. The data of the final NVT production simulation run are stored for the two phase, bulk and pore systems.
atomtypes.atp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 37.8 KB - MD5: 0f8889f396c5e4b291c50385cfa06e0b
gromacs forcefield atomtype
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