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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	/self_act_st_cycpr/self_act_st_cycpr_sp 1int1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.96008761; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.90681446; Eh
	29-Oct-2025	/S8F/S8F_opt ts_f8_newts3oa_3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.91093506; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 4_n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1218.00227936; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.91066875; Eh
	29-Oct-2025	/S7F/S7F_sp ts_f7_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.2114165; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1790033; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s2_anionic	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-796.6503554; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp sh	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-398.9434674; 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

Results 2321-2330 of 2546 (Search time: 0.001 seconds).