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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jun-2018 | cluster-M06-L-2-sp | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06L | SDD; 6-31G**; 6-31+G* | -3839.63400051; Eh | |||
 | 27-Jun-2018 | cluster-PBE-2-sp | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UPBEPBE | SDD; 6-31G**; 6-31+G* | -3836.29983166; Eh | |||
 | 28-Oct-2020 | LiHMDS-close_(dimer) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -2410.85642337; Eh | |||
| 28-Oct-2020 | LiHMDS-close_(monomer) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1530.11546052; Eh | |||
| 28-Oct-2020 | LiHMDS-open_(dimer) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -2410.86101493; Eh | |||
| 28-Oct-2020 | LiHMDS-open_(monomer) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1530.10998935; Eh | |||
| 28-Oct-2020 | LDA-close_(monomer) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -948.652964408; Eh | |||
| 28-Oct-2020 | LDA-open_(monomer) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -948.648535613; Eh | |||
| 28-Oct-2020 | LDA-open_(dimer) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1247.93422482; Eh | |||
| 28-Oct-2020 | 6-open | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1740.67496453; Eh |
Results 1-10 of 49 (Search time: 0.002 seconds).