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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 rh2hco4_gas	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-975.834325994; 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 CHCR_H-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1553.88315521; 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
	9-Jan-2024	/model_system 13_cyclodiene	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-233.426395738; Eh
	9-Jan-2024	/model_system N2_gas	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-109.524129065; Eh
	9-Jan-2024	/model_system eli_star_H	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1321.65713111; Eh

Results 21-30 of 52 (Search time: 0.002 seconds).