Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-May-2021 | /reaction_profiles/POPh3 NiBrdppfPOPh3+rad_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8912.1773032; Eh | ||||
30-May-2021 | /reaction_profiles/NMe3 NidppfNMe3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -7824.8899091; Eh | ||||
30-May-2021 | /reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -9029.934611; Eh | ||||
30-May-2021 | /reaction_profiles/AsPh3 NidppfAsPh3_HATS_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -10580.8634188; Eh | ||||
30-May-2021 | /reaction_profiles/PC6H4OMe3 NiBrdppfPC6H4OMe3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -9029.9661712; Eh | ||||
30-May-2021 | /reaction_profiles/PC6H4OMe3 NiBrdppfPC6H4OMe3+rad_triplet | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -9029.9661708; Eh | ||||
30-May-2021 | /reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -9029.9450532; Eh | ||||
30-May-2021 | /reaction_profiles/AsPh3 NidppfAsPh3_HATS_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -10580.881219; Eh | ||||
30-May-2021 | /reaction_profiles/AsPh3 NiBrdppfAsPh3+rad_trip | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -10580.9002996; Eh | ||||
30-May-2021 | /reaction_profiles/SbPh3 NiBrdppfSbPh3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8350.5096854; Eh |
Results 41-50 of 60 (Search time: 0.002 seconds).
Discover
Subject
Calculation type