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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-fenilZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2580.1005367; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-504.0966693; Eh
	9-Nov-2018	/vacuum/complexes xecrh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-484.165742926; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-104.6004538; Eh
	9-Nov-2018	/vacuum/complexes xecuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-252.795775096; Eh
	9-Nov-2018	/noDisp/complexes sin-fk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-128.2135328; Eh
	9-Nov-2018	/vacuum/complexes xeaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-244.165371119; Eh
	6-Aug-2020	/freq/intermediates/Ag/Cl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-102.88941694; eV
	26-Aug-2024	geom137_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0216373; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-809.0230451; Eh

Results 22201-22210 of 103529 (Search time: 0.013 seconds).