Browsing by Author Tanwar, Mayank
Showing results 1 to 2 of 2
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2022 | RuIII | Tanwar, Mayank | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06L | GENECP/AUTO | -2192.76986036; Eh | |||
 | 6-Feb-2023 | Substrate1 | Tanwar, Mayank | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06L | 6-311++G(D,P) 6-311++G(D,P)/AUTO | -2880.93552115; Eh |