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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	/SF/SF_sp f_1int1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-919.9413384; Eh
	29-Oct-2025	/self_act_st/self_act_st_opt tri_MECP_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	6-31G(D,P) GEN	-3185.30835813; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.92927164; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt ts3n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4464644; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt fs6	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2488.94906966; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s6	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2389.01715078; 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	/S7F/S7F_sp ts_f7_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.2025317; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s5	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1991.058724; Eh
	29-Oct-2025	/S9/S9_sp s9_ts3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-819.9601541; Eh

Results 2401-2410 of 2546 (Search time: 0.001 seconds).