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7,531 to 7,540 of 7,624 Results
buch17_Ru1A.prop
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 4 B - MD5: a54f0041a9e15b050f25c463f1db7449
buch17_Ru1A_property.txt
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Plain Text - 245.1 KB - MD5: 175fdc71d931f80db862c375840f05d2
buch17_Ru1A.trj
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 157.0 KB - MD5: 9458b64cc93e51477b0b0c9be5d07267
buch17_Ru1A.vpot
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 2.6 MB - MD5: 565f36a525c75adbb9dd9cc0ce5e74ee
buch17_Ru1A.xyz
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Co-Ordinate Animation - 7.2 KB - MD5: 69aaa7cffcd8164331706a0331375196
distcml.dat
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Fixed Field Text Data - 103 B - MD5: c9b8bec447de0c3daf824b7248bfc3fc
educt_oplsaa.itp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
application/vnd.shana.informed.formtemplate - 11.6 KB - MD5: 8a01ce34386d723ab84fd773c9d3f573
Topology file of a substrate molecule in .itp format.
ffbonded_new.itp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
application/vnd.shana.informed.formtemplate - 235.0 KB - MD5: 1a4d75c1e2ef4aec829db878915100b7
gromacs forcefield bond parameters
ffnonbonded_new_red.itp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
application/vnd.shana.informed.formtemplate - 67.2 KB - MD5: d17b11e295c37763aa2705f25d2e083f
gromacs forcefield non-bonded parameters
forcefield_new_red.itp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
application/vnd.shana.informed.formtemplate - 874 B - MD5: b626d6ddebdccfd37de401c347aa1e7b
gromacs forcefield default
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