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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-clnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-741.1767464; Eh
	9-Nov-2018	/vacuum/complexes sih3-nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2385.39017136; Eh
	9-Nov-2018	/noDisp/complexes sin-cncunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-459.701374; Eh
	9-Nov-2018	/vacuum/complexes sih3-incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1213.69546122; Eh
	9-Nov-2018	/vacuum/complexes sih3-hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-467.870439522; Eh
	6-Aug-2020	/freq/intermediates/Ag/Cl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.41016128; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S14 S14_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1425614; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-532.0565898; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-468.0926495; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-673.8741703; Eh

Results 16011-16020 of 104515 (Search time: 0.012 seconds).