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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2024	/model_system TS1_H	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D)	-454.024971717; Eh
	9-Jan-2024	/model_system TS3_H	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1320.35202621; Eh
	9-Jan-2024	/model_system ketone_acetal_H-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1553.84221883; Eh
	9-Jan-2024	/model_system TS7_H-trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.81900703; Eh
	9-Jan-2024	/model_system CHCR_H-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1553.88315521; Eh
	9-Jan-2024	/model_system TS6_H-trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1553.81923983; Eh
	9-Jan-2024	/model_system 1_H_trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D)	-454.033685087; Eh
	9-Jan-2024	/model_system 1_H-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D)	-454.035756109; Eh
	9-Jan-2024	/model_system 2_H-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-1320.36906575; Eh
	9-Jan-2024	/model_system 2_H-trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-1320.36857311; Eh

Results 91-100 of 175 (Search time: 0.001 seconds).