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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/reac_prod_actspec_cyc/sp s4_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1593.124369; 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	/reac_prod_actspec_cyc/sp s2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-796.3662853; 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
	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/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	/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	/self_act_st/self_act_st_sp tri_lin_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3185.6829804; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp prodS	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.1839542; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp 4_n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.228693; Eh

Results 2441-2450 of 2835 (Search time: 0.001 seconds).