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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	/self_act_st_cycpr/self_act_st_cycpr_sp 4_n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1218.00227936; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts4oa_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.89182507; Eh
	29-Oct-2025	/S7F/S7F_opt ts_f7_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3308.68669557; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt int2n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4575926; Eh
	29-Oct-2025	/S9H/S9H_sp ts_f9_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.404234; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1244944; Eh
	29-Oct-2025	/S9/S9_sp ts_2_s9_ts3oa_5	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4005.9830066; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4848854; Eh
	29-Oct-2025	/S9/S9_sp s9_int3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-819.9709969; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.91724509; Eh

Results 2411-2420 of 2546 (Search time: 0.001 seconds).