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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-cnmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-422.7640026; Eh
	9-Nov-2018	/noDisp/complexes sin-cncro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-405.6674287; Eh
	28-May-2022	/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Pd-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-319.12837341; eV
	9-Nov-2018	/noDisp/complexes sin-ch3-feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-617.2795724; Eh
	9-Nov-2018	/noDisp/complexes sin-cnfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1137.2279905; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-854.7356466; 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-ch3-znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-306.9676184; Eh
	9-Nov-2018	/vacuum/complexes sih3-niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-805.425817613; Eh
	9-Nov-2018	/noDisp/complexes sin-clZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2808.72596; Eh

Results 22261-22270 of 103529 (Search time: 0.014 seconds).