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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Apr-2021	Cu(100)-3x3-CH2CH(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-321.35742663; eV
	9-Nov-2018	/noDisp/complexes sin-ch3-incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-962.3087324; Eh
	9-Nov-2018	/vacuum/complexes h2sircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1303.28166422; Eh
	9-Nov-2018	/noDisp/complexes sin-cnaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1609.38619; Eh
	9-Nov-2018	/noDisp/complexes sin-cohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-289.7788462; Eh
	5-Nov-2018	_F_top	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-172.05643010; eV
	6-Aug-2020	/freq/intermediates/Ag/I hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.04413541; eV
	5-Nov-2018	_Pt_hollow	Fako, Edvin	-	N/A	DFT	-	-
	28-May-2022	/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Pd-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-333.45490926; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/t-ZnZrOx-1vac/Zn-surf-t-ZnZrOx-1vac m2-t-ZnZrOx-vac-ss-3	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-431.27620883; eV

Results 15171-15180 of 104583 (Search time: 0.011 seconds).