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1 to 10 of 46 Results
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
ethanediol.zip
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.
propanediol.zip
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.
raw.tgz
Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'
Gzip Archive - 553.1 KB - MD5: 3e13e27368375df94afc193cbb43d023
raw.tgz
Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'
Gzip Archive - 554.2 KB - MD5: 9e52db800cc9b1586c64a1ff69e286da
raw.tgz
Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'
Gzip Archive - 553.8 KB - MD5: 6aefe796af724ef56ab75db0075f1b43
raw.tgz
Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'
Gzip Archive - 1.5 MB - MD5: 2ef8517cb9493f4fbdee24d847fb36a8
raw.tgz
Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'
Gzip Archive - 1.6 MB - MD5: 4b023ad60f8f221bb6e862695f38129b
raw.tgz
Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'
Gzip Archive - 553.7 KB - MD5: d5057485f93ad5d7ec0da39b88eb48ae
raw.tgz
Aug 3, 2022 - Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'
Gzip Archive - 3.2 MB - MD5: ebc35250b52c6cadb887e33a528fbb9b
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