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Item hits:

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_3ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.86175039; 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	/self_act_st_cycpr/self_act_st_cycpr_opt ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4425299; Eh
	29-Oct-2025	/S9/S9_opt s9_int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-4005.47357924; Eh
	29-Oct-2025	/S9H/S9H_sp ts_f9_1ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.4087548; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1int3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4702305; Eh
	29-Oct-2025	/S7F/S7F_sp f7_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.215744; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts4oa_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.89182507; 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 h3_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89956306; Eh

Results 2431-2440 of 2546 (Search time: 0.001 seconds).