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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes bpinconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-682.265738308; Eh
	9-Nov-2018	/noDisp/complexes sin-nchpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-564.5427597; Eh
	9-Nov-2018	/vacuum/complexes bpincro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-566.815592279; Eh
	6-Aug-2020	/freq/intermediates/Ag/F fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-104.13317020; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/t-ZnZrOx-1vac/Zn-surf-t-ZnZrOx-1vac m2-t-ZnZrOx-vac-ss-1	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-429.86816773; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS30_S31 TSS30-S31_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1769.2040821; Eh
	9-Nov-2018	/noDisp/complexes sin-iircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-915.5730341; Eh
	9-Nov-2018	/noDisp/complexes sin-itame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-228.126914; Eh
	9-Nov-2018	/noDisp/complexes sin-iZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2359.9479202; Eh
	9-Nov-2018	/noDisp/complexes sin-ialcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1634.8257441; Eh

Results 15661-15670 of 104515 (Search time: 0.012 seconds).