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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | 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-close | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1740.68273272; Eh | |||
| 28-Oct-2020 | 2-open | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -2233.49839169; 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 | |||
| 28-Oct-2020 | 3-close | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -2074.35025915; Eh | |||
| 28-Oct-2020 | 2-close | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RM062X | 6-31G** 6-31+G* GEN | -2233.50517740; Eh | |||
| 28-Oct-2020 | 3-open | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -2074.34133784; Eh |
Results 1-10 of 41 (Search time: 0.001 seconds).