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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_J_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.46439138; Eh | |||
![]() | 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_D_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.46599888; Eh | |||
![]() | 1-Jun-2022 | TS_C_H_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.46590256; Eh | |||
![]() | 1-Jun-2022 | TS_U_2 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1176.05930412; Eh | |||
![]() | 1-Jun-2022 | TS_J_K_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.46862312; Eh | |||
![]() | 1-Jun-2022 | TS_H_I_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1637.44713078; Eh | |||
![]() | 1-Jun-2022 | TS_G_L_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -501.812744757; Eh | |||
![]() | 1-Jun-2022 | TS_I_G_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1676.65932847; Eh | |||
![]() | 1-Jun-2022 | TS_H_I_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1676.59525816; Eh |
Results 21-30 of 35 (Search time: 0.002 seconds).