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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS14_S15 TSS14-S15	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-983.875122813; Eh
	25-Jun-2024	/Intermediates/Ni/110 H2N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	30-Sep-2021	/Water/TS_water ch3hcooo-OTf-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1266.05521114; Eh
	3-Oct-2019	dmf_set_Brpdpme3trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3160.55261342; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S29 S29_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1394.8930628; Eh
	3-Oct-2019	dmf_set_Brpdph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3385.73494298; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-4811-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-324.25322942; eV
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_1_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07673551; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_3_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07394464; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_2_(R)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB2PLYP-FC	DEF2TZV	-1407.07722161; Eh

Results 32741-32750 of 104515 (Search time: 0.02 seconds).