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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/PPh3 NiBrdppfPPh3+rad_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8686.4826613; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4CF33 NiBrdppfPC6H4CF33+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -9697.5743441; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4F3 NidppfPC6H4F3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8984.2045099; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4F3 NidppfPC6H4F3+rad_trip | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8984.2044976; Eh | |||
 | 30-May-2021 | /reaction_profiles/PMe3 NiBrdppfPMe3+rad_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5758233; Eh | |||
 | 30-May-2021 | /reaction_profiles/PMe3 NidppfPMe3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5380706; Eh | |||
 | 30-May-2021 | /reaction_profiles/PPh3 NidppfPPh3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8686.4477273; Eh | |||
 | 30-May-2021 | /reaction_profiles/PMe3 NidppfPMe3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5560644; Eh | |||
 | 30-May-2021 | /reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_sqbp_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5767434; Eh | |||
 | 30-May-2021 | /reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_sqbp_t | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5537153; Eh |
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