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 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/NMe3 NidppfNMe3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4940.7838421; Eh | ||||
30-May-2021 | /reaction_profiles/PC6H4Me3 NidppfPC6H4Me32 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7074.0641051; 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/POPh3 NidppfPOPh32 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7289.7167518; 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 | ||||
30-May-2021 | /reaction_profiles/NMe3 NidppfNMe3BrR | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7824.9254843; Eh | ||||
30-May-2021 | /reaction_profiles/PC6H4OMe3 PC6H4OMe3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1379.4016986; Eh | ||||
30-May-2021 | /reaction_profiles/POPh3 POPh3 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1261.6075054; Eh | ||||
30-May-2021 | /reaction_profiles/NMe3 NiBrdppfNMe3+rad_oss | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -7824.9305699; Eh |
Results 511-520 of 684 (Search time: 0.003 seconds).
Discover
Subject
- 470 Reaction mechanisms
- 322 Halides
- 322 Nickel
- 186 Cross-coupling
- 157 Oxidation
- 136 Structure-activity relationships
- 120 Copper
- 120 Hydrogen transfer
- 120 Nitrene
- 120 Silicon
- next >
Calculation type