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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2023 | TS3 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.75545771; Eh | |||
 | 27-Jul-2023 | TS1 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.74465236; Eh | |||
 | 27-Jul-2023 | TS2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.77121532; Eh | |||
 | 27-Jul-2023 | mechanism2_TS3 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.75545771; Eh | |||
 | 27-Jul-2023 | mechanism2_TS1 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.74465236; Eh | |||
 | 27-Jul-2023 | mechanism1_TS2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -1898.24586762; Eh | |||
 | 27-Jul-2023 | mechanism2_TS2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.77121532; Eh | |||
 | 27-Jul-2023 | mechanism1_TS1 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -1897.79102597; 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 |
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