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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 3int1	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-3606.91665559; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 3ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-3606.88332525; 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	/self_act_st_cycpr/self_act_st_cycpr_opt 1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4479145; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 3int1	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.413862; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4089594; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.422863; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt sing_MECP_s8_cyclopropanone	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.437496; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt tri_MECP_s8_cyclopropanone	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4370967; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4508979; Eh

Results 2481-2490 of 2579 (Search time: 0.001 seconds).