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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-May-2020 | TS2_(freq) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311G(D,P) | -1397.13542538; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_0_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1408.0018391; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_1_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1407.9975753; 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 Molecule_(S)-2,3-allenol | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | - | DEF2TZV | -1407.07476352; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_2_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1408.0063395; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_3_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1407.9984693; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_4_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1407.9976359; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_5_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1407.9998851; Eh | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_7_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1408.0006278; Eh |
Results 1-10 of 13 (Search time: 0.002 seconds).