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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Dec-2023	/FeTMP2_pathways/pathway_in_benzene I8b	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2838.21886133; Eh
	23-Dec-2023	/FeTMP2_pathways/pathway_in_benzene I3b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1259.51257925; Eh
	9-Jan-2024	JohnPhos_catalyst	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	GEN	-1715.638202; Eh
	9-Jan-2024	Cat1	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	GEN	-2389.5782608; Eh
	23-Dec-2023	/Radical_addition_comparison INT3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2SVP	-1870.83767693; Eh
	23-Dec-2023	/Radical_addition_comparison INT4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2SVP	-1754.20140093; Eh
	23-Dec-2023	/Reactant_Common_Intermediates SF5_Radical	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2SVP	-896.585999305; Eh
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF I1Fe	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1901.01836664; Eh
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF 4Fe-THF	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2983.92045655; Eh
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF TS1Fe	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1901.03704875; Eh

Results 311-320 of 349 (Search time: 0.002 seconds).