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/FcPPh2 NidppfFcPPh2BrR | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -10104.8960823; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/PPh3 NidppfPPh32 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -6838.2918755; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/PC6H4CF33 NidppfPC6H4CF33BrR | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -9697.5981253; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/FcPPh2 FcPPh2 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -2454.3240349; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/FcPPh2 NidppfFcPPh22 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -9675.0990464; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/PCy3 NiBrRdppfPCy3_sqbp | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8697.3530122; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/FcPPh2 NidppfFcPPh2 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7220.7515685; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/PC6H4CF33 NidppfPC6H4CF332 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8860.5038503; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/PPh3 NidppfPPh3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -5802.3427132; Eh | |||
![]() | 30-May-2021 | /reaction_profiles/PMe3 PMe3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -461.0186095; Eh |
Results 1-10 of 69 (Search time: 0.002 seconds).
Discover
Subject
- 69 Cross-coupling
- 69 Halides
- 69 Homogeneous catalysis
- 69 Nickel
Program name
- 69 Gaussian
Calculation type