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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2023 | /3b_tBu 3b_tbu_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1711.75319103; Eh | |||
 | 12-Aug-2023 | /3b_tBu 3b_tbu_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1711.77843108; Eh | |||
 | 4-Sep-2023 | protected_epimer_of_favored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1311.19991739; Eh | |||
 | 12-Aug-2023 | /3c_iPr 3c_ipr_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1672.44353790; Eh | |||
 | 12-Aug-2023 | /3c_iPr 3c_ipr_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1672.46130334; Eh | |||
 | 12-Aug-2023 | /1s 1s_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1497.25746651; Eh | |||
 | 12-Aug-2023 | /1s 1s_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1497.25746654; Eh | |||
 | 12-Aug-2023 | /1s 1s_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1497.26679336; Eh | |||
 | 14-Jun-2024 | /def2SVP/M062X TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -347.612844794; 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 |
Results 161-170 of 183 (Search time: 0.001 seconds).