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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 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 dimer_Xantphos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -6694.7075782; 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 | |||
 | 12-Oct-2021 | /other_ligands dimer_PPh3 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -6504.0251117; Eh | |||
 | 12-Oct-2021 | /other_ligands dimer_PCy3 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -6525.7663473; Eh | |||
 | 12-Oct-2021 | /TS_B_B+_2py TS-B+-B-2py | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1883861; Eh | |||
 | 12-Oct-2021 | /Dimer_Pathway C_alt_isomer2 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1880022; Eh | |||
 | 12-Oct-2021 | /NiArCldppf B+-2pyCl | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1924381; Eh | |||
 | 12-Oct-2021 | /Dimer_Pathway C | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.1915937; Eh | |||
 | 12-Oct-2021 | /NiArCldppf B-2pyCl_NiCl2-pydppf | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5474.2059792; Eh |
Results 61-70 of 99 (Search time: 0.002 seconds).