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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2020 | /M06L_BS1_optimized_structures m06l_cluster | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06L | 6-31G(D,P) SDDALL GEN | -2433.92229604; Eh | |||
 | 22-Mar-2020 | /M06L_BS1_optimized_structures m06l_pha_prod1 | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06L | 6-31G(D,P) SDDALL GEN | -2742.30222424; Eh | |||
 | 22-Mar-2020 | /M06L_BS1_optimized_structures m06l_pha | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06L | 6-31G(D,P) GEN | -308.356877978; Eh | |||
 | 22-Mar-2020 | /M06L_BS1_optimized_structures ga_m06l_dmadprod | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06L | 6-31G(D,P) SDDALL GEN | -2966.97467237; Eh | |||
 | 22-Mar-2020 | /M06L_BS1_optimized_structures ga_m06l_dmad | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06L | 6-31G(D,P) GEN | -533.024376520; Eh |
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