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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/PCy3 NiBrdppfPCy3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8697.3543391; Eh | |||
 | 30-May-2021 | /reaction_profiles/PCy3 NiBrdppfPCy3+rad_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8697.3543088; Eh | |||
 | 30-May-2021 | /reaction_profiles/PCy3 NidppfPCy3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8697.3298111; Eh | |||
 | 30-May-2021 | /reaction_profiles/PCy3 NiBrdppfPCy3+rad_recomb_sqbp_t | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8697.3246348; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4Me3 NiBrdppfPC6H4Me3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8804.3586433; Eh | |||
 | 30-May-2021 | /reaction_profiles/POPh3 NiBrdppfPOPh3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8912.1772997; Eh | |||
 | 30-May-2021 | /reaction_profiles/NMe3 NidppfNMe3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -7824.907519; Eh | |||
 | 30-May-2021 | /reaction_profiles/POPh3 NidppfPOPh3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8912.1461356; Eh | |||
 | 30-May-2021 | /reaction_profiles/POPh3 NidppfPOPh3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8912.1586173; Eh | |||
 | 30-May-2021 | /reaction_profiles/PCy3 NidppfPCy3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8697.3185212; Eh |
Results 31-40 of 63 (Search time: 0.002 seconds).