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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Oct-2021 | /other_ligands NiCOD2 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -2132.0007328; Eh | |||
 | 12-Oct-2021 | /other_ligands PPh3 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1035.9197549; Eh | |||
 | 12-Oct-2021 | /COD COD | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -311.8618736; Eh | |||
 | 12-Oct-2021 | /ArX PhCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -691.7159853; Eh | |||
 | 12-Oct-2021 | /Nidppf_e2ArCl A-3pyCl_alternative | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1688612; Eh | |||
 | 12-Oct-2021 | /Nidppf_e2ArCl A1-2pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1692315; Eh | |||
 | 12-Oct-2021 | /Nidppf_e2ArCl A2-2pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1727322; Eh | |||
 | 12-Oct-2021 | /Nidppf_e2ArCl A-4pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1719322; Eh | |||
 | 12-Oct-2021 | /Nidppf_e2ArCl A-3pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1698198; Eh | |||
 | 12-Oct-2021 | /Nidppf_e2ArCl A-PhCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5458.1253782; Eh |
Results 81-90 of 99 (Search time: 0.001 seconds).