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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 R_Cl | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2364.93668328; Eh | |||
 | 9-Feb-2023 | /Hammett R_CN | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1997.58258908; Eh | |||
 | 9-Feb-2023 | /Hammett R_F | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2004.56996855; Eh | |||
 | 9-Feb-2023 | /model I | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1218.78306007; Eh | |||
 | 9-Feb-2023 | /model TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1218.74359639; Eh | |||
 | 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_Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1944.62042707; 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 | |||
 | 9-Feb-2023 | /Hammett TS_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-31G(D,P) | -1905.32221639; Eh | |||
 | 9-Feb-2023 | /Hammett R_OiPr | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2137.74537736; Eh |
Results 21-30 of 51 (Search time: 0.001 seconds).