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Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels
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Fast Nonadiabatic Molecular Dynamics via Spin-Flip Time-Dependent Density-Functional Tight-Binding Approach:

Hiroki Uratani1, Toshiki Morioka1, Takeshi Yoshikawa2,3

  • 1Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1, Okubo, Shinjuku-ku, Tokyo 169-8555, Japan.

Journal of Chemical Theory and Computation
|November 16, 2020
PubMed

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