QM_hamiltonian_nature_2019 ...
~100,000 configurations of water, ethanol, malondialdehyde and uracil gathered at the PBE/def2-SVP level of theory using ORCA. ...
Main Authors: | , , , , |
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Format: | Dataset |
Language: | English |
Published: |
ColabFit
2023
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Subjects: | |
Online Access: | https://dx.doi.org/10.60732/b0a10262 https://materials.colabfit.org/id/DS_02cqe6a0bobu_0 |
Summary: | ~100,000 configurations of water, ethanol, malondialdehyde and uracil gathered at the PBE/def2-SVP level of theory using ORCA. ... |
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