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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Pyrrole TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3901.71280862; Eh | |||
 | 28-Jul-2023 | no_lysine_mechanism_TS1 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -1897.79102597; Eh | |||
 | 28-Jul-2023 | no_lysine_mechanism_TS2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -1898.24586762; Eh | |||
 | 28-Jul-2023 | lysine_mechanism_TS1 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.74465236; Eh | |||
 | 28-Jul-2023 | lysine_mechanism_TS2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.77121532; Eh | |||
 | 28-Jul-2023 | lysine_mechanism_TS3 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.75545771; 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 | |||
 | 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 | |||
 | 30-Apr-2024 | TS10_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5379425; Eh |
Results 131-140 of 168 (Search time: 0.002 seconds).