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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
 | 21-Feb-2023 | /M06-2X_6-31+Gd_optimisation_frequencies/no_guest Eq-o-M-cis-M-cis_M06-2X_6-31plGd_chloroformSMD_frequencies | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RM062X | 6-31+G(D) | -2995.24395982; 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-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 | 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-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -1308.7143386; Eh | |||
| 1-Sep-2023 | MK_RS7 | Novotny, Jan | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM062X | GEN | -645.9717552; Eh | |||
| 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 | pdms-ts-1water-sp-gas | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RM062X | 6-311+G(2DF,2P) | -2068.2306433; Eh |
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