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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/SbPh3 NidppfSbPh3BrR | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8350.5153044; Eh | |||
 | 30-May-2021 | /reaction_profiles/SbPh3 NidppfSbPh3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5466.3718786; Eh | |||
 | 30-May-2021 | /reaction_profiles/SbPh3 SbPh3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -699.9520144; Eh | |||
 | 30-May-2021 | /benchmarking/M06_6_311+Gdp NiBrHdppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7341.0558337; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4Me3 NidppfPC6H4Me3BrR | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8804.3780828; Eh | |||
 | 30-May-2021 | /reaction_profiles/PC6H4Me3 NidppfPC6H4Me3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5920.2289598; Eh | |||
 | 30-May-2021 | /benchmarking/M06_6_311+Gdp styrene | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -309.4773324; Eh | |||
 | 30-May-2021 | /benchmarking/M06_6_311+Gdp NiBrHdppfstyrene_isomer | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7650.5434278; Eh | |||
 | 30-May-2021 | /benchmarking/M06_6_311+Gdp TS_bH_elim_isomer | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7650.5266618; Eh | |||
 | 30-May-2021 | /benchmarking/M06_6_311+Gdp NiBrCH2CH2Phdppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7650.562471; Eh |
Results 371-380 of 389 (Search time: 0.002 seconds).