Browsing by Subject Noncovalent interactions
Showing results 1 to 4 of 4
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Aug-2022 | Glycothiohexidea | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -6472.05691970; Eh | |||
| 19-Aug-2022 | Glycothiohexidea_modified | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -4318.74962033; Eh | |||
| 19-Aug-2022 | NocathiacinI | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -6470.23994643; Eh | |||
| 19-Aug-2022 | NocathiacinI_modified | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -4675.79965951; Eh |