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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_9_(R) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_0_(S) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_1_(S) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_(S)-2,3-allenol | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_3_(S) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_2_(S) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_4_(S) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_0_(R) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB2PLYP-FC | DEF2TZV | -1407.07446099; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Molecule_(R)-2,3-allenol | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | - | DEF2TZV | -1407.07437137; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_9_(R) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB2PLYP-FC | DEF2TZV | -1407.07256916; Eh |
Results 1-10 of 44 (Search time: 0.001 seconds).