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91 to 97 of 97 Results
catabm.gro
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Unknown - 3.4 KB - MD5: 57041007e0631df1bfa5f4935a999f4f
Ruthenium catalyst structure in gro format placed on the catalytic mesopore model.
cata.ipynb
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Jupyter Notebook - 21.5 KB - MD5: ec45e060abb9eb3b078f12c7480b6230
Jupyter Notebook for generating a cylindrical catalytic mesopore model.
fig_1.pdf
fig_1.pdf
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Adobe PDF - 715.3 KB - MD5: 2b4b32e0ad2e18f372e22ded52a91103
Building block of beta-cristobalite viewed (a) from the xy-plane, (b) from the zy-plane and (c) from the xz-plane. Si and O atoms are coloured yellow and red, respectively.
fig_2.pdf
fig_2.pdf
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Adobe PDF - 5.6 MB - MD5: 890845cf1575b43ebe24493871f14f29
Cylindrical RPLC mesopore model generated with PoreMS. (a) Side view of the simulation box indicating the length of the central silica block and the solvent reservoirs. (b) and (c) Front and side view, respectively, of the pierced silica block containing the 9nm diameter pore. T...
fig_3.pdf
fig_3.pdf
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Adobe PDF - 19.0 KB - MD5: e28d19ca7402a3cab68e5ccce83b8c34
Functionalization at the interior (a,b) and exterior surface (c) of the generated cylindrical silica pore model for heterogeneous catalysis. (a) Ruthenium catalyst, (b) dimethoxydimethylsilyl (DMDMS) group, (c) trimethylsilyl (TMS) group.
fig_4.pdf
fig_4.pdf
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Adobe PDF - 6.6 MB - MD5: 3d112c57076bb317a0d537c3f4b73dc4
Cylindrical catalytic mesopore model generated with PoreMS. (a) Side view of the simulation box indicating the length of the central silica block and the solvent reservoirs. (b) and (c) Front and side view, respectively, of the pierced silica block containing the 4.8nm pore. The...
rplc.ipynb
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Jupyter Notebook - 41.5 KB - MD5: a05a5d527a13a5cee785965dcd8f4079
Jupyter Notebook for generating a cylindrical RPLC mesopore model.
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