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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-omno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-405.2820162; Eh
	28-May-2022	/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Pd-COCH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-330.15898554; eV
	9-Nov-2018	/noDisp/complexes sin-nhcircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1130.1361965; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2574.7293116; Eh
	9-Nov-2018	/vacuum/complexes fenilno2nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-717.091546628; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-697.3291373; Eh
	9-Nov-2018	/vacuum/complexes fenilno2oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-752.212037852; Eh
	9-Nov-2018	/noDisp/complexes sin-ohrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-567.9542439; Eh
	9-Nov-2018	/noDisp/complexes sin-ohZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2424.3266856; Eh
	6-Aug-2020	/freq/intermediates/Ag/F top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.61229329; eV

Results 22821-22830 of 103529 (Search time: 0.015 seconds).