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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-h2ohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-252.8930952; Eh
	9-Nov-2018	/noDisp/complexes sin-h2szncl3_newfix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2007.3911062; Eh
	5-Nov-2018	_withoutyPt_static_CN_CN2vedle	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-197.05026272; eV
	5-Nov-2018	_withPt_static_F_F1vedle	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-173.26218886; eV
	5-Nov-2018	_withPt_static_CN_CN1nad	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.79335244; eV
	5-Nov-2018	_OH_5	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-
	13-Apr-2021	1O-doped-Ni(100)-3x3-CH2CH2CH2CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-444.16851828; eV
	5-Nov-2018	_withoutyPt_static_OH_OH2vedle	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-185.19033420; eV
	5-Nov-2018	_withoutyPt_static_H_H2nad	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-172.34170321; eV
	5-Nov-2018	_withoutyPt_static_F_F1vedle	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-169.03805470; eV

Results 14921-14930 of 104583 (Search time: 0.011 seconds).