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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/int4 int4_1FBONIA_QRCR | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN DEF2TZVPP | -3407.0345158; Eh | |||
 | 5-Oct-2022 | /template-3/int6 int6_FFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3403.17315412; Eh | |||
 | 5-Oct-2022 | /template-3/int5 int5_FFINIA_QRCF | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3403.19658484; Eh | |||
 | 5-Oct-2022 | /template-3/int5 int5_1BFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3403.20040269; Eh | |||
 | 5-Oct-2022 | /template-3/int5 int5_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP | -3403.10665217; Eh | |||
 | 5-Oct-2022 | /template-3/int6 int6_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3403.16376944; Eh | |||
 | 5-Oct-2022 | /template-3/int5 int5_BFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3403.19765329; 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-3/int7 int7_FFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3403.20488822; Eh | |||
 | 5-Oct-2022 | /template-3/mono_HFIP int1_BFONON_HFIP | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3283.78806615; Eh |
Results 61-70 of 157 (Search time: 0.002 seconds).