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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-1/ts4 IRC_reverse | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | - | -3126.54669447; Eh | ||||
5-Oct-2022 | /template-1/int1 7_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64701881; Eh | ||||
5-Oct-2022 | /template-1/int1 9_BBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64541282; Eh | ||||
5-Oct-2022 | /template-1/int1 6_FFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN DEF2TZVPP | -2221.1774849; Eh | ||||
5-Oct-2022 | /template-1/int1 4_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64439734; Eh | ||||
5-Oct-2022 | /template-1/int2 int2_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2781.41183734; Eh | ||||
5-Oct-2022 | /template-1/int2 int2_FFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2781.40054526; Eh | ||||
5-Oct-2022 | /template-1/int2 int2_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2781.41985751; Eh | ||||
5-Oct-2022 | /template-1/int2 int2_FFOAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2781.40382427; Eh | ||||
5-Oct-2022 | /template-1/int2 int2_FBONIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN DEF2TZVPP | -2784.501646; Eh |
Results 261-270 of 285 (Search time: 0.002 seconds).