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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_opt f8_1int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-819.789237694; Eh
	29-Oct-2025	/S3H/S3H_sp h3_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.83720742; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.93419450; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s3_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1194.74916965; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.205526; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s2h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-797.1565458; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp tri_MECP_s8_cyclopropanone	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3606.93741767; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.94356200; Eh
	29-Oct-2025	/S7F/S7F_opt ts_f7_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3308.69720240; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.87155104; Eh

Results 2261-2270 of 2546 (Search time: 0.001 seconds).