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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_dimer1_4020	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.91747173; eV
	8-May-2017	Pd-4-10	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-282.48813785; eV
	23-Jul-2018	/1butyne/Ni/111/1H C4H7NT+HtoC4H8NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-312.00496363; eV
	9-Nov-2018	/vacuum/complexes nme3ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1613.40999844; Eh
	27-Jun-2018	cluster-PBE-4	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBEPBE	SDD; 6-31G*; 6-31+G	-3836.29998559; Eh
	27-Jun-2018	cluster-PBE-2	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBEPBE	SDD; 6-31G*; 6-31+G	-3836.28872365; Eh
	18-Sep-2019	ads_o-din3-PtCl-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2027.53211404; eV
	18-Sep-2019	ads_o-din4-PtCl-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2016.82015046; eV
	18-Sep-2019	ads_keto4-PtCl-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1980.36366310; eV
	23-Aug-2018	/ni3p2_ni2p/ts_methyl_but_ol c2h4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-722.74977665; eV

Results 11901-11910 of 104079 (Search time: 0.011 seconds).