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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 | |||
 | 7-Sep-2022 | TS-AB | Kojasoy, Volga | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) | -781.727000316; Eh | |||
| 7-Sep-2022 | TS-BC | Kojasoy, Volga | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) | -781.756806074; Eh | |||
| 19-Jul-2023 | anti-a-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -2718.15701882; Eh | |||
| 19-Jul-2023 | syn-a-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -2718.13663931; Eh | |||
| 19-Jul-2023 | anti-c-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -1632.72807883; Eh | |||
| 19-Jul-2023 | syn-c-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -1632.71743222; Eh |
Results 1-9 of 9 (Search time: 0.001 seconds).