1 to 10 of 992 Results
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 |
May 23, 2024 -
Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols
ZIP Archive - 72.1 MB -
MD5: f9f55e14df08153293cd822fc2cf1bdf
DFT results and inputs for OCCO scan. |
May 23, 2024 -
Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols
ZIP Archive - 48.8 MB -
MD5: 0af7c10bf808689b75eaf7b699de7671
DFT results and inputs for OCCC scan. |
May 23, 2024 -
Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols
MS Excel Spreadsheet - 9.8 KB -
MD5: dcda244a6f352fecbf6fb93e965d5ad8
Transport properties for Ethanediol |
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. |
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. |
May 23, 2024 -
Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols
JSON - 47.6 KB -
MD5: f5c50b227c222ba11c208e15944716df
VLE results for pentanediol from the post-processing of the MC simulation. |
May 23, 2024 -
Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols
JSON - 55.1 KB -
MD5: c0a69574f2abbd26308171f72c231b95
VLE results for propanediol from the post-processing of the MC simulation. |
Sep 21, 2023 -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Unknown - 740 B -
MD5: f96c5d4888d27a901d7a58b9175cabdc
Cartesian coordinates of a single 1-butanol molecule in .gro format. |
Sep 21, 2023 -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Unknown - 9.1 KB -
MD5: cc98395393960b384e3b32d3d4469dc5
Topology file of a 1-butanol molecule in .top format. |