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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2019 | Fe-ts-12-13 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -2123.23274107; Eh | |||
 | 24-Jun-2019 | Pre_hydride_transfer | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1940.40853549; Eh | |||
 | 24-Jun-2019 | Mo-5-1atm | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -1825.95569643; Eh | |||
 | 24-Jun-2019 | Mo-ts-14-15 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -1941.61009948; Eh | |||
 | 24-Jun-2019 | H2-1atm | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -1.16908755242; Eh | |||
 | 24-Jun-2019 | Mo-ts-6-7-alt1 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -2265.92826980; Eh | |||
 | 24-Jun-2019 | Mo-ts-7-8-alt1 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.93119664; Eh | |||
 | 24-Jun-2019 | Mo-8 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.93962876; Eh | |||
 | 24-Jun-2019 | N-methylformanilide-cis | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -439.968611501; Eh | |||
 | 24-Jun-2019 | Mo-10-alt1 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2225.51277339; Eh |
Results 11-20 of 73 (Search time: 0.001 seconds).