Molecular Simulation

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211 to 214 of 214 Results

topol_6nm_pure_substrate.top Jan 11, 2022 - Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis' Unknown - 493 B - MD5: b090d6c2a8c0441cb0fba01b2758d4b7 Main topology file of the simulation box of the 6nm pore containing pure substrate in .top format.
topol_9nm_mixture.top Jan 11, 2022 - Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis' Unknown - 532 B - MD5: 2bf8c54af261b58772bc5684a8a6fc4c Main topology file of the simulation box of the 9nm pore containing a mixture of substrate and product in .top format.
topol_9nm_pure_product.top Jan 11, 2022 - Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis' Unknown - 524 B - MD5: 6f2ce8042574ee991dd7adb64b65c400 Main topology file of the simulation box of the 9nm pore containing pure product in .top format.
topol_9nm_pure_substrate.top Jan 11, 2022 - Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis' Unknown - 501 B - MD5: 67d56574287c1bfe148b377ca2ebfaec Main topology file of the simulation box of the 9nm pore containing pure substrate in .top format.

topol_6nm_pure_substrate.top

Unknown - 493 B -

Main topology file of the simulation box of the 6nm pore containing pure substrate in .top format.

topol_9nm_mixture.top

Unknown - 532 B -

Main topology file of the simulation box of the 9nm pore containing a mixture of substrate and product in .top format.

topol_9nm_pure_product.top

Unknown - 524 B -

Main topology file of the simulation box of the 9nm pore containing pure product in .top format.

topol_9nm_pure_substrate.top

Unknown - 501 B -

Main topology file of the simulation box of the 9nm pore containing pure substrate in .top format.

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