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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_Me	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1788.59038386; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_I	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.04747621; Eh
	20-Jul-2022	/Rh2(s-TCPTTL)4 rh2stcpttl4_aabb	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-11163.2331822; Eh
	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	/Rh2(s-TCPTTL)4 rh2stcpttl4_aaab	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-11163.2330458; 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	/Rh2(s-dosp)4_system dosp_TS0_aabb2_cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-5625.18364187; Eh
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_TS0_abbb_trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-5625.16797090; Eh
	9-Jan-2024	/model_system TS4_H-cis-chair-in-high	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.80239977; Eh
	9-Jan-2024	/model_system TS5_H-trans-chair-out	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1553.81347208; Eh

Results 251-260 of 348 (Search time: 0.002 seconds).