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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_6_(R) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_7_(R) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_8_(R) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_4_(R) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB2PLYP-FC | DEF2TZV | -1407.07254703; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_5_(R) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB2PLYP-FC | DEF2TZV | -1407.07492476; Eh | |||
 | 11-Feb-2022 | /Pathway_c5c4_cat C1_Al | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -4796.30521672; Eh | |||
 | 11-Feb-2022 | /Pathway_c5c4_cat Int3C | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -4796.31144320; Eh | |||
 | 11-Feb-2022 | /Pathway_c5c4_cat Int4C | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -4796.32245540; Eh | |||
 | 11-Feb-2022 | /Pathway_c5c4_no_cat Int3B | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -3226.25144064; Eh | |||
 | 11-Feb-2022 | /Pathway_c5c4_no_cat Int4B | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -3226.26142345; Eh |
Results 71-80 of 119 (Search time: 0.002 seconds).