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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/ts1/c6 ts1c6_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01430077; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_FFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02078314; Eh | ||||
5-Oct-2022 | /template-3/ts1/c7 ts1c7_BFONIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3058.01281051; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 60_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3058.01693539; Eh | ||||
5-Oct-2022 | /template-3/ts1/c7 ts1c7_BFININ | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01932928; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01727949; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 16_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP GEN | -3058.02153712; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 4_1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP GEN | -3058.01682625; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 26_crest_BFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01840241; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 ts1c4_c4_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01840257; Eh |
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