GENERAL INFO
| Title: | Sample calculation |
| Browse item: | https://iochem-bd.bsc.es/browse/handle/10/123456 |
| Program: | GRRM 23 |
| Author: | Doe, John |
| Formula: | CH2O |
| Calculation type: | SC-AFIR2 (Phase gas) |
| Method(s): | DFT ( B3LYP ) |
MOLECULAR INFO
| Charge: | 0 |
| Multiplicity: | 1 |
