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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | ||||
12-Oct-2021 | /Nidppf_OATS TS-A-B-3pyCl_alternative | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.142372; Eh | ||||
12-Oct-2021 | /Nidppf_OATS TS-A-B-4pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1476007; Eh | ||||
12-Oct-2021 | /Nidppf_OATS TS-A-B-3pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1431909; Eh |
Results 51-60 of 66 (Search time: 0.002 seconds).