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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/PMe3 NiBrdppfPMe3+rad_recomb_tbp_t | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -8111.5588429; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/PMe3 NiBrRdppfPMe3_sqbp | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8111.5940213; Eh |
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