Published August 21, 2019 | Version v1
Dataset Open

Cartesian coordinates of the Cpd I species

Authors/Creators

  • 1. The Hebrew University of Jerusalem

Description

.xyz-files containing the Cartesian coordinates in the snapshot at 2 ns the MD trajectory of the Cpd I species, cf. T. Stuyver, J. Huang, D. Mallick, D. Danovich, S. Shaik, TITAN: A code for modelling and generating electric fields - Features and applications to enzymatic reactivity, J. Comput. Chem. 2019, X, XXX.

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md5:ccffc321ad4feab549898a1a0a27562f
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