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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Apr-2022 | C-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1403.64714993; Eh | |||
 | 4-Apr-2022 | D_p-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1006.06368753; Eh | |||
 | 4-Apr-2022 | D-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1404.12107474; Eh | |||
 | 14-Jun-2024 | 2_A_TS_water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1064.94402422; Eh | |||
| 14-Jun-2024 | 1_B_TS_water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1025.64246848; Eh | |||
| 14-Jun-2024 | 3_B_TS_water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1182.82433491; Eh | |||
| 14-Jun-2024 | 2_B_TS_water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1064.94641320; Eh | |||
| 14-Jun-2024 | 1_A_TS_water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1025.64335971; Eh | |||
| 14-Jun-2024 | 3_A_TS_water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1182.82321213; Eh |
Results 1-9 of 9 (Search time: 0.001 seconds).