Research output per year
Research output per year
Description
• These files relate to electronic structure calculations using Gaussiano9 software, with Gaussview being compatible for generation of inputs and viewing of outputs.
• The dataset contains input, output and checkpoint files.
• Formats are .cube .txt .gjf .log .chk .fchk .out
• .txt and .log are text files compatible with any text editor
• Other formats are compatible with Gaussian09 and Gaussview, and may be intercompatible with other electronic structure software (specific compatibility cannot be gauranteed).
• The dataset contains input, output and checkpoint files.
• Formats are .cube .txt .gjf .log .chk .fchk .out
• .txt and .log are text files compatible with any text editor
• Other formats are compatible with Gaussian09 and Gaussview, and may be intercompatible with other electronic structure software (specific compatibility cannot be gauranteed).
| Date made available | 17 Nov 2025 |
|---|---|
| Publisher | University of St Andrews |
| Date of data production | 26 May 2025 - 15 Aug 2025 |
Research output
- 1 Preprint
-
Bands, beets & berries: a quantum study of natural dyes for solar cells
Sturrock, K. & Mitchell, J. B. O., 25 Aug 2025, ChemRxiv, 9 p.Research output: Working paper › Preprint
Open Access