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. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jul-2022 | /Complexes 2d-3 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1852.31765318; Eh | ||||
1-Jul-2022 | /Complexes 2d-2 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1619.95176955; Eh | ||||
1-Jul-2022 | THF | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -232.354615349; Eh | ||||
1-Jul-2022 | /Ligands 1a | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -1084.25975238; Eh | ||||
1-Jul-2022 | /Ligands 1c | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -1068.22440146; Eh | ||||
1-Jul-2022 | /Complexes 2c | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1539.98087963; Eh | ||||
1-Jul-2022 | /Complexes Li(THF)4 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -936.951678004; Eh | ||||
1-Jul-2022 | /Complexes 2d-1 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1155.22703159; Eh | ||||
1-Jul-2022 | /Ligands 1b | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1237.84889712; Eh | ||||
1-Jul-2022 | /Complexes 2a | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1556.01815191; Eh |
Results 1-10 of 13 (Search time: 0.001 seconds).
Discover
Calculation type