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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Nov-2022	TS10	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-3546.20185825; Eh
	10-Nov-2022	TS7	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-3432.83337410; Eh
	10-Nov-2022	TS8	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2920.29154115; Eh
	10-Nov-2022	TS13	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2806.92389332; Eh
	14-Jun-2021	/Reaction_Intermediates_Transition_States A2_to_A4_TS	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP; RCCSD	6-311++G(D,P)	-466.526693; Eh
	14-Jun-2021	/Reaction_Intermediates_Transition_States A1_to_94_TS	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP; RCCSD	6-311++G(D,P)	-466.4848231; Eh
	14-Jun-2021	/Reaction_Intermediates_Transition_States A4_to_94_TS	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP; RCCSD	6-311++G(D,P)	-466.527375; Eh
	22-Mar-2020	/B3LYP-D3(BJ)_BS1_optimized_structures b3l_pha_ts1x	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2742.64218411; Eh
	22-Mar-2020	/B3LYP-D3(BJ)_BS1_optimized_structures ga_b3ldb_dmadtsa	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2967.33040470; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures b3l_pha_ts1x	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2742.33476792; Eh

Results 31-40 of 177 (Search time: 0.002 seconds).