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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_9_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1407.9985042; 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 | |||
 | 26-Nov-2021 | /Optimized_Structures Center_of_Cluster_6_(S) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB2PLYP-FC | DEF2TZV | -1408.0060551; 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 |
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Subject
- 68 Carbon dioxide fixation
- 68 Carbonate
- 66 DFT
- 48 DavePhos
- 48 Homogeneous catalysis
- 48 Silver
- 46 Ketocarbonates
- 44 Allenes
- 44 Allenols
- 44 Circular dichroism
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Calculation type
Method
- 48 RPBE1PBE
- 22 RwB97XD
- 22 SAOP
- 20 RB2PLYP-FC