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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/reac_prod_actspec_cyc/opt s8_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3185.64973456; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s9h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3584.28287826; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt sf2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-896.257808330; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 4_n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.228693; 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	/S8F/S8F_sp f8_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4199679; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp fs7	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2887.4957763; Eh
	29-Oct-2025	/S3H/S3H_opt h3_1ts3oa_fixed	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.85873172; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1317.92207042; 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 2341-2350 of 2546 (Search time: 0.001 seconds).