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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Oct-2021 | /P2BMe24_system E-P2BMe24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3402.5246611; Eh | ||||
4-Oct-2021 | /P2BMe24_system F-P2BMe24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3402.4743302; Eh | ||||
4-Oct-2021 | /P2BMe24_system P2B2Me24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1651.3426016; Eh | ||||
4-Oct-2021 | /P2BMe24_system C-D-TS-P2BMe24_oss | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -5053.8245097; Eh | ||||
4-Oct-2021 | /P2BMe24_system C-D-TS-P2BMe24_triplet | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -5053.8050318; Eh | ||||
4-Oct-2021 | /P2BMe24_system B_o-P2BMe24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4810.9242518; Eh | ||||
4-Oct-2021 | /P2BMe24_system C-P2BMe24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5053.8359134; Eh | ||||
4-Oct-2021 | /P2BMe24_system A-P2BMe24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4810.950479; Eh | ||||
4-Oct-2021 | /dnppe_system F-E-TS-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -2986.3329265; Eh | ||||
4-Oct-2021 | /dnppe_system E-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -2986.3895936; Eh |
Results 11-20 of 23 (Search time: 0.002 seconds).