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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2023 | pdms-ts-2water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -2144.27727278; Eh | |||
| 24-Jun-2023 | pc-ts-2water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -889.197251243; Eh | |||
| 24-Jun-2023 | pcu-ts | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1328.11183343; Eh | |||
| 24-Jun-2023 | pcuu-ts | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1308.26294748; Eh | |||
| 24-Jun-2023 | puu-ts | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -2563.33929327; Eh | |||
| 24-Jun-2023 | peu-ts | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -2583.19034706; Eh |
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