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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82041076; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82622375; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82041076; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82816830; Eh
	29-Oct-2025	/S3H/S3H_opt h3_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89537995; Eh
	29-Oct-2025	/S3H/S3H_opt h3_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.83720742; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_sp s2_3int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-1218.1117103; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_sp s2_3ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-1218.1038074; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_sp s2_3ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-1218.0875475; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_sp s2_3int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-1218.1342228; Eh

Results 2361-2370 of 2578 (Search time: 0.001 seconds).