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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	/S8F/S8F_sp f8_1ts3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-819.9601541; Eh
	29-Oct-2025	/S9/S9_sp s9_int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.0128273; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s6	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2389.2936256; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt sing_MECP_s8_cyclopropanone	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.437496; Eh
	29-Oct-2025	/S9H/S9H_opt ts_f9_1ts2o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.86343169; Eh
	29-Oct-2025	/S7F/S7F_opt f7_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3308.69959775; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt fs8_l	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3285.29912020; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s7_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2787.47533587; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-421.584248850; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4089594; Eh

Results 2471-2480 of 2546 (Search time: 0.002 seconds).