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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/Rh2(s-TCPTTL)4 rh2stcpttl4_aaaa	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-11163.2511410; Eh
	20-Jul-2022	/triplet_state Bach_iPr_TT_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0249288; Eh
	20-Jul-2022	/triplet_state Bach_iPr_CA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4319.9902614; 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-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-cis-chair-in	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80849710; 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
	9-Jan-2024	/model_system TS2_H-trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1429.87239645; Eh
	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 TS2_H-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1429.87167957; Eh

Results 81-90 of 175 (Search time: 0.001 seconds).