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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-ncsfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1995.8538895; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1561.3749088; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1005.2421297; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-570.6646746; Eh
	4-Jan-2026	pcl3_NMR	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP; RPBE1PBE	6-31G 6-31+G(D,P) GEN*	-1721.4172628; Eh
	28-May-2022	/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-2CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-334.07970450; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/ICp_star ICp_star	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1462.21288893; Eh
	9-Nov-2018	/water//water complexes aq-h2ofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-653.7487453; Eh
	9-Nov-2018	/water//water complexes aq-h2ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-619.9683041; Eh
	9-Nov-2018	/water//water complexes aq-h2opdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-891.1532384; Eh

Results 21781-21790 of 103542 (Search time: 0.014 seconds).