Wann - Molecular dynamics simulations for 1,2-dithiane



Input and output files from non-adiabatic multiconfigurational molecular dynamics (NAMMD) simulations carried out using the Newton-X code interfaced with the quantum chemical package Columbus v7.0
The deposited read-me file contains a lot of additional information to enable the reader to use the inputs and outputs.
Date made available2016
PublisherUniversity of York
Date of data production2016

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