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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/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 | ||||
5-Oct-2022 | /template-1/int2 int2_FFONIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2781.41319432; Eh | ||||
5-Oct-2022 | /template-1/int1 8_FBOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64216259; Eh | ||||
5-Oct-2022 | /template-1/int1 11_BBIAON | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64191893; Eh | ||||
5-Oct-2022 | /template-1/int1 14_BFIAIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64210861; Eh | ||||
5-Oct-2022 | /template-1/int1 10_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64388140; Eh | ||||
5-Oct-2022 | /template-1/int2 int2_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2781.41309854; Eh | ||||
5-Oct-2022 | /template-1/int1 12_BBIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64417286; Eh |
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- 278 Olefination
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- 12 RB3LYP