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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Aug-2023	/1s 2s_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1497.33215070; Eh
12-Aug-2023	/1s 2s_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1497.29381643; Eh
12-Aug-2023	/1s 1s_TS2_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1497.25746654; Eh
12-Aug-2023	/1s 1s_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1497.26679336; 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
9-Feb-2023	/Hammett R_NO2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P)	-2109.79559739; Eh

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