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8,301 to 8,310 of 9,299 Results
summary.csv
Jul 8, 2024 - Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'
Tabular Data - 2.5 KB - 1 Variables, 50 Observations - UNF:6:YzAOMm1x9Lpc4X4mD5V2tw==
summary_test.csv
Jul 8, 2024 - Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'
Tabular Data - 1.5 KB - 1 Variables, 30 Observations - UNF:6:41HaiRt+gNg5SspEFk483Q==
vmd_command
Jul 8, 2024 - Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'
Plain Text - 66 B - MD5: f8acd02facbe65b314173b6c3b3257e2
vmd_command
Jul 8, 2024 - Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'
Plain Text - 66 B - MD5: f0be1c21240315caf3d35e5198b52c99
vmd_command
Jul 8, 2024 - Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'
Plain Text - 66 B - MD5: f8acd02facbe65b314173b6c3b3257e2
vmd_command
Jul 8, 2024 - Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'
Plain Text - 66 B - MD5: f0be1c21240315caf3d35e5198b52c99
vmd.py
Jul 8, 2024 - Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'
Python Source Code - 157 B - MD5: b70bbb5970ad1bea4f773042e527b6d6
TerpenesCycl_NCOMMS_MDSim_SI.tar.gz
Jun 11, 2024 - Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis
Gzip Archive - 544.8 MB - MD5: 23ce24f6e0dffec44024721b86a5aec6
contains GROMACS topologies, coordinate files, software, and a prototypical double decoupling workflow for the ambroxide-beta cyclodextrin complex
butanediol.json
May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols
JSON - 32.0 KB - MD5: 5a6c04db3334d9f6e1bceb098623f7ea
VLE results for butanediol from the post-processing of the MC simulation.
ethanediol.json
May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols
JSON - 74.8 KB - MD5: 816b40353d869bb91d25d2c2a0f76006
VLE results for ethanediol from the post-processing of the MC simulation.
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