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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jun-2022 | B_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -689.830497146; 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 | K_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1637.55241095; Eh | |||
 | 1-Jun-2022 | TS_J_K_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1676.62082201; Eh | |||
 | 1-Jun-2022 | K_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1676.70069440; Eh | |||
 | 1-Jun-2022 | TS_C_D_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1676.61459628; Eh | |||
 | 1-Jun-2022 | I_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1676.66444392; Eh | |||
 | 1-Jun-2022 | F_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1676.69987520; Eh | |||
 | 1-Jun-2022 | TS_J_K_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1598.13504430; Eh | |||
 | 1-Jun-2022 | TS_C_D_acc | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1598.13168584; Eh |
Results 511-520 of 581 (Search time: 0.001 seconds).