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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-ncscro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-803.89305; Eh
	9-Nov-2018	/noDisp/complexes sin-iticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1450.5978581; Eh
	6-Aug-2020	/freq/intermediates/Ag/F fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-104.13317020; eV
	13-Apr-2023	/CO2-activation-5H2O PdMLPt(111)-(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-260.80420629; eV
	9-Nov-2018	/noDisp/complexes sin-ifeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-588.8611953; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1515.2909245; Eh
	9-Nov-2018	/noDisp/complexes sin-hcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-367.4443313; Eh
	9-Nov-2018	/noDisp/complexes sin-icro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-324.2773549; Eh
	9-Nov-2018	/vacuum/complexes xeyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-435.140605202; Eh
	9-Nov-2018	/noDisp/complexes sin-iznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-278.5380559; Eh

Results 22891-22900 of 103529 (Search time: 0.013 seconds).