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Collection hits:

Collection Name
Methane Catalytic Amidation via a Plausible Copper-Nitrene Intermediate

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_opt ts2n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4514089; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt ts3n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4464644; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt ts3o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4383602; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4425299; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 3ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.3826967; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 3ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-3607.3996859; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 4_n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.228693; 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
	13-May-2025	TS3-4ON_triplet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2315.98593100; Eh

Results 2491-2500 of 2579 (Search time: 0.001 seconds).