Wann - Tris(chloromethyl)amine data from calculations and from gas electron diffraction



Inside this archive, there are two directories relating to the paper "The Structure of Tris(chloromethyl)amine in the Gas Phase Using Quantum Chemical Calculations and Gas Electron Diffraction and as a Solid and Melt Using Raman Spectroscopy".

One directory (Theory) contains the input/output for theoretical calculations; the other (Experiment) contains the input/output for the gas electron diffraction (GED) refinement procedure, carried out using ed@ed v3.0.

A read-me document gives more information on understanding the file naming scheme and the software used to generate the files.

**Access restricted until the paper is published**
Date made available2016
PublisherUniversity of York
Temporal coverage2018

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