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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Aug-2023	/3a_Me 3a_me_TS2_endo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1593.85158439; Eh
12-Aug-2023	/3a_Me 3a_me_TS2_exo	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1593.86740111; Eh
12-Aug-2023	/3a_Me 3a_me_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D)	-1593.89644731; 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
9-Feb-2023	/Hammett R_OMe	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P)	-2019.84710252; Eh
9-Feb-2023	/Hammett R_NMe2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D,P)	-2039.27669175; Eh
9-Feb-2023	/enamine TS4c_DCM	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	6-31G(D,P)	-1885.65916512; Eh
9-Feb-2023	/enone 1a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D,P)	-1826.97578153; Eh
12-Aug-2023	/3a_Me 3a_me_R	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1593.92422735; Eh

Results 71-80 of 113 (Search time: 0.001 seconds).