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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-2/ts1_t2/c4 ts1c4_FFONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN DEF2TZVPP | -2863.0350852; Eh | ||||
5-Oct-2022 | /template-2/int1 1_BFONON | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2297.08951149; Eh | ||||
5-Oct-2022 | /template-2/int1 3_FBONON | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP GEN | -2297.08960823; Eh | ||||
5-Oct-2022 | /template-2/int1 2_FFONON | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN DEF2TZVPP | -2299.7318179; Eh | ||||
5-Oct-2022 | /template-2/int1 5_BBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2297.10234676; Eh | ||||
5-Oct-2022 | /template-2/int1 4_BFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2297.10389249; Eh | ||||
5-Oct-2022 | /template-2/int1 6_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2297.09573829; Eh | ||||
5-Oct-2022 | /template-2/int1 13_FFOAOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN DEF2TZVPP | -2299.72906; Eh | ||||
5-Oct-2022 | /template-2/int1 10_FFIAIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2297.09672127; Eh | ||||
5-Oct-2022 | /template-2/int1 7_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2297.09417351; Eh |
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- 157 Olefination
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