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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 2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-421.7266411; Eh
	29-Oct-2025	/self_act_st/self_act_st_opt tri_lin_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-3185.32184261; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt f_anion	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-99.8797140747; Eh
	29-Oct-2025	/S9H/S9H_opt f9_1int1o_3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-4005.86609046; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 3ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.3826967; Eh
	29-Oct-2025	/S9/S9_opt s9_ts3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-819.780366064; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s7_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2787.791693; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s9h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3584.6898756; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4581158; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.46461; Eh

Results 2301-2310 of 2546 (Search time: 0.001 seconds).