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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S9H/S9H_opt ts_f9_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.85300211; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82041076; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82816830; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1592.94013765; Eh
	29-Oct-2025	/self_act_st/self_act_st_opt ts1	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-3185.30309952; Eh
	29-Oct-2025	/S9/S9_opt s9_int3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-819.790792678; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts5s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4575999; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1592.8052009; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.94126175; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s9_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3583.82346797; Eh

Results 2331-2340 of 2546 (Search time: 0.001 seconds).