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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2021	TS_SL1_freq	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	DEF2SVP	-10672.0470841; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2b 2b_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1181.4860893; Eh
	18-Sep-2019	/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 DMC_ads_Au111CeO2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1511.21843326; eV
	6-Aug-2020	/freq/gasses CH2Cl2	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-20.85170886; eV
	13-Apr-2023	/hydride-formation-HC PdMLPt(111)-(3x3)-CO-075-ML-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-165.10146818; eV
	2-Aug-2018	MDsnap_dimer1_3520	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.80867261; eV
	2-Aug-2018	MDsnap_dimer1_3440	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.90134185; eV
	2-Aug-2018	MDsnap_dimer1_3620	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.41737451; eV
	2-Aug-2018	MDsnap_dimer1_3480	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.47965448; eV
	2-Aug-2018	MDsnap_dimer1_3340	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.93359877; eV

Results 26051-26060 of 104508 (Search time: 0.016 seconds).