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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_1ts3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.90532661; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1593.42210462; Eh
	29-Oct-2025	/self_act_st/self_act_st_sp sing_MECP_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3185.6680817; Eh
	29-Oct-2025	/S7F/S7F_sp ts_f7_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.2089614; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp sf	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-498.1686904; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.90672177; Eh
	29-Oct-2025	/S3H/S3H_sp 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	/reac_prod_actspec_cyc/opt ProdS	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1217.96547608; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s2_anionic	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-796.545115472; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s3h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1195.3803426; Eh

Results 2441-2450 of 2546 (Search time: 0.002 seconds).