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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-int1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.94918634; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-INT1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.96008761; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion Product_O	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1218.00018452; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts2-in	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.86900773; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.85856368; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts5	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.94303476; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts4	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.90865493; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-ts3	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-819.780366064; Eh
	9-Sep-2024	/Sulfure_activation_structures s8_singlet-ring	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3185.33777381; Eh
	9-Sep-2024	/Mec_Figure2_S8-F_anion f8-int1	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.87155104; Eh

Results 21-30 of 39 (Search time: 0.001 seconds).