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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 E_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -7879.2765485; Eh | |||
| 31-Mar-2021 | /dnppe C-D-TS_(M06)_(open_shell_singlet) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.4994152; Eh | |||
| 31-Mar-2021 | /dnppe C-D-TS_(M06)_(triplet) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.4975946; Eh | |||
| 31-Mar-2021 | /organics phenyl_radical_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -231.4355383; Eh | |||
| 31-Mar-2021 | /P2BMe24_DMAP D_oss_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8110.6901803; Eh | |||
| 31-Mar-2021 | /P2BMe24_DMAP D_t_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8110.6393717; Eh | |||
| 31-Mar-2021 | /dnppe E_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -3990.0663635; Eh | |||
| 31-Mar-2021 | /P2BMe4 J_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -3171.0070409; Eh | |||
 | 27-Aug-2019 | Mo-4-gas-triplet | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G** GENECP | -2487.77743547; Eh | |||
 | 29-Oct-2019 | H6PtW6O24(1e_1H) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.10393073; Eh |
Results 11-20 of 93 (Search time: 0.001 seconds).