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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2021 | /P2BMe24_DMAP G-H-TS_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8110.6925985; Eh | |||
| 31-Mar-2021 | /P2BMe24_DMAP I_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4930.8974415; Eh | |||
| 31-Mar-2021 | /P2BMe24_DMAP H_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8110.7555084; Eh | |||
 | 4-Oct-2021 | /dnppe_system B-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3978.6451592; Eh | |||
 | 4-Oct-2021 | /dnppe_system C-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4221.5454238; Eh | |||
 | 4-Oct-2021 | /dnppe_system A-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3978.6809412; Eh | |||
 | 4-Oct-2021 | /P2BMe24_system F-E-TS-P2BMe24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3402.4705226; Eh | |||
 | 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 |
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