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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
16-Oct-2020 | /Au_Cp XIIa | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Cp 6a | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Cp IXb | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Cp XIb | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Cp Enyne-isom-prod | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Ch TSXIVb-XVb | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Cp TSIXb-Xb | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Cp TSXb-XIIb | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Ch XIVb | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
16-Oct-2020 | /Au_Ch XVb | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - |
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- 91 Carbenes
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