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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Oct-2022 | /template-3/int1 7_FFONOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.25477936; Eh | ||||
5-Oct-2022 | /template-3/int1 9_BBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.27008178; Eh | ||||
5-Oct-2022 | /template-3/int1 6_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.26186157; Eh | ||||
5-Oct-2022 | /template-3/int1 8_BFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.27168505; Eh | ||||
5-Oct-2022 | /template-3/int1 4_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.26197500; Eh | ||||
5-Oct-2022 | /template-3/int1 13_FFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.25963173; Eh | ||||
5-Oct-2022 | /template-3/int1 12_BBOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.25906277; Eh | ||||
5-Oct-2022 | /template-3/int1 11_BFOAON | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.25606592; Eh | ||||
5-Oct-2022 | /template-3/int1 15_BFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.26060028; Eh | ||||
5-Oct-2022 | /template-3/int1 21_FBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.26662750; Eh |
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- 213 Palladium
- 188 Olefination
- 69 C-C activation
- 56 Arynes
- 56 DFT
- 56 Homogeneous catalysis
- 52 Rhodium
- 37 alkylation
- 37 Copper
- 37 isoquinolone
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