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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 prodS	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.1839542; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-819.968625; Eh
	29-Oct-2025	/S9/S9_sp s9_ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.0069382; Eh
	29-Oct-2025	/S9/S9_sp s9_ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4005.946873; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82622375; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.91801156; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 1int1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4584941; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt fs7	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2887.12532884; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.83678992; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1592.61745063; Eh

Results 2281-2290 of 2546 (Search time: 0.001 seconds).