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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S2F/S2F_sp f2_1ts3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1400598; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s4h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1593.6024004; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp S8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3185.7411691; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.85570253; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82816830; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.89698646; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.85637768; Eh
	29-Oct-2025	/S9/S9_opt s9_ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.39753008; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s9_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3584.2300548; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1int3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-819.9709969; Eh

Results 2381-2390 of 2546 (Search time: 0.001 seconds).