Research output per year
Research output per year
Description
This dataset contains calculations associated with the following paper: "A computational analysis of the apparent nido vs. hypho conflict: are we dealing with six- or eight-vertex open-face diheteroboranes?" J. P. F. Nunes, J. Holub, D. W. H. Rankin, D. A. Wann and D. Hnyk, Dalton Trans., 2015, 44, 11819–11826.
NBO calculations and geometry optimisations are included for a variety of different borane clusters.
NBO calculations and geometry optimisations are included for a variety of different borane clusters.
| Date made available | 2016 |
|---|---|
| Publisher | University of York |
| Temporal coverage | 2014 - 2015 |
Research output
- 1 Article
-
A computational analysis of the apparent nido vs. hypho conflict: are we dealing with six- or eight-vertex open-face diheteroboranes?
Nunes, J. P. F., Holub, J., Rankin, D. W. H., Wann, D. A. & Hnyk, D., 8 Jun 2015, In: Dalton Transactions. 44, p. 11819-11826 8 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