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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Oct-2021 | /Dimer_Pathway D | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -10948.4188335; 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+_2pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1688607; Eh | |||
 | 12-Oct-2021 | /Nidppf_OATS TS-A-B-2pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1498414; 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 | |||
 | 12-Oct-2021 | /other_ligands NiCl2pyXantPhos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4478.6155645; Eh | |||
 | 12-Oct-2021 | /other_ligands NiCl2pyPCy32 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4309.6828313; Eh | |||
 | 12-Oct-2021 | /other_ligands NiCl2pyPPh32 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4287.9323918; Eh | |||
 | 12-Oct-2021 | /other_ligands NiCl2pydppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D) GENECP | -3903.4102437; Eh |
Results 41-50 of 51 (Search time: 0.001 seconds).