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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Aug-2020 | 2a | Deng, Chao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | 6-31G** 6-31G* LANL2DZ GEN | -1469.70314314; Eh | |||
 | 26-Aug-2020 | RhcodCO3H | Deng, Chao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | 6-31G* LANL2DZ GEN | -685.633851405; Eh | |||
 | 26-Aug-2020 | 1a | Deng, Chao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | 6-31G** 6-31G* GEN | -784.028444291; Eh | |||
 | 24-Jun-2019 | Mo-1c | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1795.74903391; Eh | |||
 | 24-Jun-2019 | Post_hydride_transfer | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1940.43681816; Eh | |||
 | 27-Aug-2019 | Mo-12-alt2 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2225.50729563; Eh | |||
 | 27-Aug-2019 | Mo-4-gas-singlet | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2487.84977489; Eh | |||
 | 27-Aug-2019 | Mo-4-alt1 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2487.87332776; Eh | |||
 | 27-Aug-2019 | Mo-16 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2381.64425338; Eh | |||
 | 27-Aug-2019 | Mo-ts-12-13-K | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2379.21831410; Eh |
Results 1-10 of 274 (Search time: 0.002 seconds).