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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/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/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 12_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3058.01696250; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 66_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP GEN | -3058.02336799; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 1_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP GEN | -3058.02137764; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 61_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3058.02155313; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 38_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3058.01534502; Eh | ||||
5-Oct-2022 | /template-3/ts1/c2 ts1c2_FFONIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -3058.01517688; Eh |
Results 1-10 of 157 (Search time: 0.002 seconds).