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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-10-alt2 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2225.50729563; Eh | |||
 | 24-Jun-2019 | Mo-ts-CNMe | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2305.21146809; Eh | |||
 | 24-Jun-2019 | N-methylacetanilide-cis | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -479.258201116; Eh | |||
 | 24-Jun-2019 | Ethanol | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -154.952432732; Eh | |||
 | 24-Jun-2019 | Mo-3 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1824.75926830; Eh | |||
 | 24-Jun-2019 | Mo-5 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1825.95569644; Eh | |||
 | 24-Jun-2019 | Mo-5-alt1 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1825.95385541; Eh | |||
 | 24-Jun-2019 | Mo-9b | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1979.75973133; Eh | |||
 | 24-Jun-2019 | Mo-ts-9-14 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -1940.43939441; Eh | |||
 | 24-Jun-2019 | Mo-ts-14-15-Li | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1786.86313790; Eh |
Results 21-30 of 73 (Search time: 0.002 seconds).