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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S8F/S8F_opt f8_1ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.86500069; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 3int1	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.413862; Eh
	29-Oct-2025	/self_act_st/self_act_st_sp tri_MECP_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3185.668851; Eh
	29-Oct-2025	/S9/S9_opt s9_ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.40155354; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s4f	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1692.8380241; Eh
	29-Oct-2025	/S9/S9_sp s9_int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4005.9563275; Eh
	29-Oct-2025	/S9/S9_sp s9_ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4005.95123; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.95062437; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.88723136; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1ts3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1317.85900142; Eh

Results 2251-2260 of 2546 (Search time: 0.002 seconds).