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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2023 | pcuu-ts | Vlaisavljevich, Bess | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1308.26294748; Eh | |||
 | 30-Aug-2023 | epimer_of_disfavored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.712635763; Eh | |||
 | 30-Aug-2023 | epimer_of_favored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.718865802; Eh | |||
 | 30-Aug-2023 | disfavored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.713827400; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.12074482; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS2_exo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.14150758; Eh | |||
 | 12-Aug-2023 | /1t 1t_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1615.14931638; Eh | |||
 | 4-Sep-2023 | protected_disfavored_TS_regioisomer_better | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1311.19505141; Eh | |||
 | 4-Sep-2023 | protected_disfavored_TS_regioisomer | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -1311.15130545; Eh | |||
 | 12-Aug-2023 | /3b_tBu 3b_tbu_TS2_endo | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D) | -1711.73886707; Eh |
Results 151-160 of 183 (Search time: 0.001 seconds).