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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jun-2022 | TS_C_D_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94481172; Eh | ||||
1-Jun-2022 | TS_C_F_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94016699; Eh | ||||
1-Jun-2022 | TS_J_K_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94948354; Eh | ||||
1-Jun-2022 | TS_D_E_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1716.01586433; Eh | ||||
1-Jun-2022 | TS_C_H_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP GEN | -1715.95466441; Eh | ||||
1-Jun-2022 | TS_C_J_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94858599; Eh | ||||
1-Jun-2022 | J_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1715.95510536; Eh | ||||
1-Jun-2022 | TS_H_I_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.93129547; Eh | ||||
1-Jun-2022 | E_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1716.03141197; Eh | ||||
1-Jun-2022 | TS_G_L_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -501.812744757; Eh |
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