Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2023 | pdms-int-1water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -2067.90633289; Eh | |||
| 24-Jun-2023 | pdms-int-2water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -2144.31792559; Eh | |||
| 24-Jun-2023 | pcu-int | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -1328.18442669; Eh | |||
| 24-Jun-2023 | pc-int-2water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -889.264693006; Eh | |||
| 24-Jun-2023 | pc-int-1water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -812.853075641; Eh | |||
| 24-Jun-2023 | pcuu-int | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -1308.32730127; Eh | |||
| 24-Jun-2023 | puu-int | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -2563.37042445; Eh | |||
| 24-Jun-2023 | peu-int | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -2583.22861688; Eh |
Results 1-8 of 8 (Search time: 0.001 seconds).
Discover
Program name
- 8 Gaussian