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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	/S9/S9_sp s9_int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-819.968625; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp ts3n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.95139578; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1317.90305853; Eh
	29-Oct-2025	/S3H/S3H_sp h3_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89956306; Eh
	29-Oct-2025	/S3H/S3H_sp h3_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89537995; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-796.279781395; Eh
	29-Oct-2025	/SF/SF_opt f_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-919.683644890; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.134126; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4548419; Eh
	29-Oct-2025	/S9/S9_sp s9_int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.0122376; Eh

Results 2311-2320 of 2546 (Search time: 0.001 seconds).