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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Aug-2018	Cu(110)-Se-COOH	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-134.87459809; eV
	2-Aug-2018	MDsnap_trimer3_3000	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.00186392; eV
	2-Aug-2018	MDsnap_trimer3_3080	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.50032590; eV
	2-Aug-2018	MDsnap_trimer3_3160	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.93398213; eV
	2-Aug-2018	MDsnap_dimer2_20	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2226.52459626; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TDAdiss+MC2diss	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Geometry optimization	DFT	-	-2006.78686459; eV
	6-Aug-2020	/freq/gasses CHF	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-12.35239182; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET V	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1512.54964304; Eh
	2-Aug-2018	MDsnap_trimer3_3040	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.57275614; eV
	2-Aug-2018	MDsnap_dimer2_120	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2226.55115731; eV

Results 12121-12130 of 104589 (Search time: 0.011 seconds).