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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 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 TS4_H-trans-chair-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80538818; Eh
	9-Jan-2024	/model_system TS4_H-cis-chair-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80811628; Eh
	9-Jan-2024	/model_system TS4_H-trans-boat-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80137882; Eh
	9-Jan-2024	/model_system TS5_H-cis-chair-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.81021148; Eh
	9-Jan-2024	/model_system TS4_H-cis-boat-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80517408; Eh
	9-Jan-2024	/model_system TS4_H-trans-chair-in	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80664483; Eh
	9-Jan-2024	/model_system TS4_H-trans-boat-in	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-1553.80212171; Eh
	9-Jan-2024	/model_system TS4_H-cis-boat-in	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	GENECP	-1553.80492250; Eh

Results 141-150 of 175 (Search time: 0.001 seconds).