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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Feb-2023	/H 1b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D,P)	-1674.37997476; Eh
9-Feb-2023	/enamine TS2c_toluene_	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D,P)	-1885.66743411; Eh
9-Feb-2023	/enamine TS3c_toluene	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D,P)	-1885.67133388; Eh
9-Feb-2023	/enamine TS3c_DCM	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D,P)	-1885.67808734; Eh
9-Feb-2023	/Hammett R_CO2Me	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D,P)	-2133.16596704; Eh
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

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