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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 s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-398.319998376; Eh
	29-Oct-2025	/S9/S9_sp s9_ts5oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.0056029; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.94918634; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4508979; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4f	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1692.60236089; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt sf	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-498.063174213; 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
	29-Oct-2025	/S9/S9_opt s9_int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-819.789237694; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.129422; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp f_anion	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-99.9983759; Eh

Results 2391-2400 of 2546 (Search time: 0.002 seconds).