zenodoopen
Optimization output files
<p>Output file containing input data and the results of optimization of LAB-TEA at the B3LYP/6-31+G(d) level of theory using Gaussian 09 program package. The resulting optimized structure is then used as the starting geometry for generating parameters for the LAB-TEA molecule.</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0
ScienceDex for faculty
Your academic CV and NIH biosketch
Make your CV in your school's format and your NIH biosketch from it, then download both as Word files.