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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/SF/SF_opt ts_f_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-919.637651887; Eh
	29-Oct-2025	/S9H/S9H_sp f9_1int1o_3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.4180193; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4607747; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s5_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1991.3481393; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-398.4103727; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 3int1	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-3606.91665559; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.85570253; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1218.00018452; Eh
	29-Oct-2025	/S9/S9_opt s9_ts5oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-4005.46855672; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_sp s2_3ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-1218.1032453; Eh

Results 2271-2280 of 2546 (Search time: 0.002 seconds).