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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/S15 S15_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1551916; Eh
	9-Nov-2018	/noDisp/complexes sin-scnrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-983.1658663; Eh
	9-Nov-2018	/vacuum/complexes imidazolfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-803.563980641; Eh
	9-Nov-2018	/vacuum/complexes imidazolfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1270.41213463; Eh
	9-Nov-2018	/noDisp/complexes sin-scnk2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.4090606; Eh
	9-Nov-2018	/noDisp/complexes sin-heconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-430.5110701; Eh
	23-Aug-2018	/slabs/segregation/ni5p4 layer9_P_159_Ni_96	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1280.89749343; eV
	9-Nov-2018	/noDisp/complexes sin-heoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-318.1986992; Eh
	23-Aug-2018	/slabs/islanding/ni3p1 1_81_18	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.86454092; eV
	19-Jun-2023	/HCOO-stabilization PdMLPt(111)-(3x3)-far-K-5H2O-HCOO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-359.48379173; eV

Results 14351-14360 of 104583 (Search time: 0.012 seconds).