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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Nov-2018	_CN-static_b_4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.60557460; eV
	5-Nov-2018	_CN-static_b_8	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.82653844; eV
	9-Nov-2018	/noDisp/complexes sin-fenilomecunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-713.0308358; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomealcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1969.5242039; Eh
	9-Nov-2018	/noDisp/complexes sin-brincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-935.8182707; Eh
	9-Nov-2018	/noDisp/complexes sin-cnhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-269.4070392; Eh
	9-Nov-2018	/noDisp/complexes sin-shniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-912.9589497; Eh
	5-Nov-2018	_CN-static_b_2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.92626460; eV
	5-Nov-2018	_CN-static_b_1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.90730731; eV
	5-Nov-2018	_Pt1_h1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-168.30841556; eV

Results 21351-21360 of 103542 (Search time: 0.012 seconds).