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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-ts-6-7-Me | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.93166626; Eh | |||
 | 24-Jun-2019 | N-methylacetanilide-trans | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -439.965178533; Eh | |||
 | 22-Mar-2020 | /M06_BS1_optimized_structures m06_cluster | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) SDDALL GEN | -2433.10343331; Eh | |||
 | 22-Mar-2020 | /M06_BS1_optimized_structures m06_pha | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) GEN | -308.144672628; Eh | |||
 | 22-Mar-2020 | /M06_BS1_optimized_structures m06_pha_prod1 | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) SDDALL GEN | -2741.27305231; Eh | |||
 | 22-Mar-2020 | /M06_BS1_optimized_structures ga_m06_dmad | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) GEN | -532.773931951; Eh | |||
 | 22-Mar-2020 | /M06_BS1_optimized_structures ga_m06_dmadprodr | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) SDDALL GEN | -2965.91065349; Eh |
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