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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	/S2_triplet/S2_triplet_sp s2_3ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-1218.0875475; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.422863; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1178077; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp 4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.2262849; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-819.790792677; Eh
	29-Oct-2025	/S3H/S3H_opt h3_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89537995; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt ts3o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4383602; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 3ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.3996859; Eh
	29-Oct-2025	/S8F/S8F_sp sp_ts_f8_newts3oa_3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4583196; Eh
	29-Oct-2025	/S9/S9_opt s9_int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-4005.47420927; Eh

Results 2371-2380 of 2546 (Search time: 0.001 seconds).