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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/self_act_st_opt sing_MECP_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	6-31G(D,P) GEN	-3185.30829130; Eh
	29-Oct-2025	/self_act_st/self_act_st_opt tri_MECP_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	6-31G(D,P) GEN	-3185.30835813; Eh
	29-Oct-2025	/self_act_st/self_act_st_opt ts1	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-3185.30309952; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 3int1ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-3606.94058522; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.94918634; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp sing_MECP_s8_cyclopropanone	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3606.93745547; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.95062437; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp int2n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.95801998; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 3ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-3606.90096380; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp 1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.90681446; Eh

Results 2461-2470 of 2835 (Search time: 0.002 seconds).