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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-h2oconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-504.7724076; Eh
	9-Nov-2018	/water//water complexes aq-h2fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1045.394891; Eh
	9-Nov-2018	/water//water complexes aq-h2conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-429.4795256; Eh
	9-Nov-2018	/water//water complexes aq-h2cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-367.9742575; Eh
	9-Nov-2018	/water//water complexes aq-h2oalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1699.7142402; Eh
	9-Nov-2018	/water//water complexes aq-h2cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-313.8605648; Eh
	9-Nov-2018	/water//water complexes aq-h2auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-479.9672169; Eh
	9-Nov-2018	/water//water complexes aq-fZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2448.6542912; Eh
	9-Nov-2018	/water//water complexes aq-h2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1624.412356; Eh
	12-Feb-2019	sa-OsPd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-520.08987080; eV

Results 21101-21110 of 103542 (Search time: 0.014 seconds).