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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.88723136; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.90672177; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.86175039; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.87784590; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.87767244; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_sp s2_3ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-1218.1032453; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1213438; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1244944; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.85637768; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.83104055; Eh

Results 2371-2380 of 2578 (Search time: 0.001 seconds).