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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2019 | Mo-1a | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G** GENECP | -2123.28815542; 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 | |||
 | 24-Jun-2019 | Mo-ts-3-5 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -1825.91596462; Eh | |||
 | 24-Jun-2019 | Mo-9b-alt1 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | 6-31+G** | -1979.74036353; Eh | |||
 | 24-Jun-2019 | H2 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -1.16908755242; Eh | |||
 | 24-Jun-2019 | Mo-7 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.94387723; Eh | |||
 | 24-Jun-2019 | Mo-11 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2381.62157317; Eh | |||
 | 24-Jun-2019 | Mo-ts-12-13 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -2381.61995093; Eh | |||
 | 24-Jun-2019 | Hemiaminal | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -441.149351664; Eh |
Results 1-10 of 68 (Search time: 0.0 seconds).