hdf5 file
收藏kaggle2023-08-10 更新2024-03-11 收录
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HDF5 Files
LP-ZPE correction scheme is applied to the water dimer system. Ground state BOMD simulations are carried out for 125 trajectories with MP2/aug-cc-pVDZ level of theory. Two types of dynamics have been
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HDF5 Files
LP-ZPE correction scheme is applied to the water dimer system. Ground state BOMD simulations are carried out for 125 trajectories with MP2/aug-cc-pVDZ level of theory. Two types of dynamics have been
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HDF5 file
A temporary file meant to be shared with only collaborators of T. Chakraborty.
Zenodo2026-06-21 更新00
HDF5 Files
LP-ZPE correction scheme is applied to the water dimer system. Ground state BOMD simulations are carried out for 125 trajectories with MP2/aug-cc-pVDZ level of theory. Two types of dynamics have been
Figshare2022-02-25 更新40
HDF5 file
A temporary file meant to be shared with only collaborators of T. Chakraborty.
Zenodo2026-06-21 更新00
