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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S9/S9_opt s9_ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.46665892; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1int4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4834461; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s4_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1593.124369; Eh
	29-Oct-2025	/S9/S9_sp s9_ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4005.9782361; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 3int1ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-3606.94058522; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.91596015; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s2_radical	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-796.4006862; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp 4_n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.228693; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts5o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4894639; Eh
	29-Oct-2025	/SF/SF_sp ts_f_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-919.880074; Eh

Results 2461-2470 of 2546 (Search time: 0.002 seconds).