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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2019 | Mo-1a | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G** GENECP | -2123.28815542; 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 | |||
 | 31-Mar-2021 | /P2BMe24_DMAP J_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4699.4802672; Eh | |||
| 31-Mar-2021 | /dnppe D_(M06)_(triplet) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.5112298; 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 | |||
| 31-Mar-2021 | /P2BMe4 D_(M06)_(open_shell_singlet) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -5053.8116635; Eh | |||
| 31-Mar-2021 | /P2BMe4 E_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4822.3663948; Eh | |||
| 31-Mar-2021 | /dnppe D_(M06)_(open_shell_singlet) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.5121103; 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 | /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 |
Results 1-10 of 93 (Search time: 0.001 seconds).