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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-nchtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-309.8443703; Eh
	9-Nov-2018	/noDisp/complexes sin-nchconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.1239819; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-970.0180975; Eh
	9-Nov-2018	/noDisp/complexes sin-irhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-503.5821472; Eh
	9-Nov-2018	/noDisp/complexes sin-iauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-490.4288912; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.4213135; Eh
	8-May-2019	/CoN4-OH CoN4-OH-CO2	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-683.27023354; eV
	19-Mar-2026	/VW V02W05O23-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.10119022; Eh
	13-Apr-2021	2O-doped-Ni(100)-3x3-CH2CH(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-451.30958165; eV
	9-Nov-2018	/noDisp/complexes sin-nchfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1137.5550623; Eh

Results 21471-21480 of 103542 (Search time: 0.013 seconds).