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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes cnnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2186.95286208; Eh
	9-Nov-2018	/vacuum/complexes clfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1965.00639367; Eh
	9-Nov-2018	/vacuum/complexes brznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-296.902100025; Eh
	9-Nov-2018	/vacuum/complexes cnzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1700.81881838; Eh
	9-Nov-2018	/vacuum/complexes faucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-328.612385070; Eh
	9-Nov-2018	/vacuum/complexes cogacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1496.13757974; Eh
	9-Nov-2018	/vacuum/complexes cnaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-321.622894115; Eh
	8-May-2019	/FeN4-OH FeN4-OH-CO2H	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-687.89490508; eV
	28-May-2022	/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-CO-CH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-316.67848400; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2d 2d_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-616.5227025; Eh

Results 25371-25380 of 103529 (Search time: 0.016 seconds).