Simulation dataset for 'Chemical and Morphological Structure of Transgenic Switchgrass Organosolv Lignin Extracted by Ethanol, Tetrahydrofuran, and γ-Valerolactone Pretreatments'
10.13139/ORNLNCCS/1778905Contains the initial configurations and output results for the simulations reported in the paper Chemical and Morphological Structure of Transgenic Switchgrass Organosolv Lignin Extracted by Ethanol, Tetrahydrofuran, and γ-Valerolactone Pretreatments
Published: 2021-04-23 16:00:19 Download DatasetDataset Properties
Field | Value |
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Authors |
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Project Identifier | BIP189 |
Dataset Type | ND Numeric Data |
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Software Needed | GROMACS |
Originating Organizations | Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States) |
Sponsoring Organizations | Office of Science (SC) |
DOE Contract | DE-AC05-00OR22725 |
Acknowledgements
Papers using this dataset are requested to include the following text in their acknowledgements:
*Support for 10.13139/ORNLNCCS/1778905 is provided by the U.S. Department of Energy, project BIP189 under Contract DE-AC05-00OR22725. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility.