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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/c2 ts1c2_FBONIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -3058.01943196; 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 | |||
 | 5-Oct-2022 | /template-3/int5 int5_FFINIA_c1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN DEF2TZVPP | -3407.0536373; Eh | |||
 | 5-Oct-2022 | /template-1/ts1/c6 ts1c6_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -2781.40479464; Eh | |||
 | 5-Oct-2022 | /template-1/ts1/c4 ts1c4_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -2781.39556363; Eh | |||
 | 5-Oct-2022 | /template-1/ts1/c4 ts1c4_FBIAIN_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -2781.39483894; Eh | |||
 | 5-Oct-2022 | /template-1/ts1/c7 ts1c6_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -2781.39301891; Eh | |||
 | 5-Oct-2022 | /template-1/ts1/c3 ts1c3_BFOAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -2781.40141296; Eh | |||
 | 5-Oct-2022 | /template-3/Pd_Ag ts1-PdAg-(OAc)2-MPAA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN DEF2TZVPP | -3665.5248553; Eh | |||
 | 5-Oct-2022 | /template-1/ts1/c3 ts1c3_FBININ_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -2781.39426403; Eh |
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