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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2023 | pcuu-int-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -1308.7143386; Eh | |||
| 24-Jun-2023 | pcuu-ts-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -1308.6455992; 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 | 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-int-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2563.8917881; Eh | |||
| 24-Jun-2023 | puu-ts-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2563.8559345; Eh | |||
| 24-Jun-2023 | peu-int-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2583.7598187; Eh | |||
| 24-Jun-2023 | peu-ts-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2583.7163596; 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 |
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- 6 TD-FC