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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | /Hammett TS_CO2Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2133.12314095; Eh | |||
 | 9-Feb-2023 | /Hammett TS_Cl | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2364.89318373; Eh | |||
 | 9-Feb-2023 | /Hammett TS_CN | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1997.54010191; Eh | |||
 | 9-Feb-2023 | /Hammett TS_F | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -2004.52600369; Eh | |||
 | 28-Jul-2023 | lysine_mechanism_TS3 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.75545771; Eh | |||
 | 30-Aug-2023 | favored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.720027549; Eh | |||
 | 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 |
Results 111-120 of 168 (Search time: 0.001 seconds).