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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-1water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-31+G(D,P) | -2067.85628459; Eh | |||
| 24-Jun-2023 | pc-int-1water-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -813.0974668; Eh | |||
| 24-Jun-2023 | pc-int-2water-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -889.5362171; Eh | |||
| 24-Jun-2023 | pc-ts-2water-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -889.4629871; Eh | |||
| 24-Jun-2023 | pcu-int-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -1328.5812894; Eh | |||
| 24-Jun-2023 | pcu-ts-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -1328.503875; Eh | |||
| 24-Jun-2023 | pc-ts1-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -813.0074413; Eh | |||
| 24-Jun-2023 | pc-ts-1water | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-31+G(D,P) | -812.766600996; Eh | |||
| 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 |
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- 6 TD-FC