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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Apr-2021	/N_sulfonylguanidine n1-i1add-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19630715; Eh
	8-Nov-2018	/water/complexes aq-xefecl3-bai_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1520.4180787; Eh
	11-Feb-2022	TpBr3Cu_HNSi_s_v2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.80218887; Eh
	28-Jan-2019	Red_I6	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1939.61833672; Eh
	28-Jan-2019	Red_T9	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1939.58571273; Eh
	11-Feb-2022	TpBr3Cu_HNSi_s_v1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.80411952; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-c6h5-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-422.648516415; Eh
	28-Jan-2019	Sys2_I4	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1741.08593990; Eh
	8-May-2018	1_Int1	Fernández, Víctor	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UM06	lanl2dz; 6-31+g(d)	-1161.78191466; Eh
	8-May-2018	4_TS1b	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	lanl2dz; 6-31+g(d)	-1129.60758854; Eh

Results 261-270 of 12842 (Search time: 0.004 seconds).