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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-ch3-rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1730.2430725; Eh
	9-Nov-2018	/water//water complexes aq-ch3-wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-673.9512074; Eh
	9-Nov-2018	/water//water complexes aq-ch3-mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-369.8806094; Eh
	9-Nov-2018	/water//water complexes aq-ch3-niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.1017; Eh
	9-Nov-2018	/water//water complexes aq-clfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1965.2856083; Eh
	9-Nov-2018	/water//water complexes aq-clk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-488.6594718; Eh
	12-Feb-2019	sa-OsIr-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-524.00916380; eV
	9-Nov-2018	/noDisp/complexes sin-h2tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-217.5274241; Eh
	9-Nov-2018	/noDisp/complexes sin-scunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.2565872; Eh
	9-Nov-2018	/noDisp/complexes sin-hecunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-369.367084; Eh

Results 22591-22600 of 103529 (Search time: 0.013 seconds).