Research output per year
Research output per year
Description
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**
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 available | 2016 |
|---|---|
| Publisher | University of York |
| Temporal coverage | 2018 |
Research output
- 1 Article
-
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
Rankine, C. D., Atkinson, S. J., Waterland, M. R., Masters, S. L. & Wann, D. A., 1 Jun 2018, In: Structural Chemistry. 29, 3, p. 803-813 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile
Projects
- 1 Finished
-
TRED: Towards molecular movies:exploring reaction dynamics using electron diffraction
Wann, D. A. (Principal investigator)
1/09/13 → 31/07/15
Project: Research project (funded) › Research