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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-May-2021 | /reaction_profiles/FcPPh2 NiBrdppfFcPPh2+rad_trip | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -10104.8882495; Eh | |||
 | 30-May-2021 | /reaction_profiles/FcPPh2 NiBrdppfFcPPh2+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -10104.8883258; Eh | |||
 | 30-May-2021 | /reaction_profiles/PPh3 NidppfPPh3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8686.4571573; Eh | |||
 | 30-May-2021 | /reaction_profiles/PPh3 NiBrdppfPPh3+rad_recomb_sqbp_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8686.4589972; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4CF33 NidppfPC6H4CF33_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -9697.5559669; Eh | |||
 | 30-May-2021 | /reaction_profiles/PPh3 NiBrdppfPPh3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8686.4734707; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4F3 NidppfPC6H4F3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8984.1739999; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4F3 NidppfPC6H4F3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8984.183938; Eh | |||
 | 30-May-2021 | /reaction_profiles/PMe3 NiBrdppfPMe3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5758176; Eh | |||
 | 30-May-2021 | /reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_tbp_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5671882; Eh |
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