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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2020	/ts_freq/Ni R8	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-207.77700101; eV
	24-Jan-2020	/opt/Ag/C fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-99.09916359; eV
	24-Jan-2020	/opt/Rh/H top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-253.93495181; eV
	28-Nov-2017	ss-RhAu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-311.03695459; eV
	29-Aug-2017	/Solvated_Calculations M_diss_charge_-1	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:47:22) gamma-only	N/A	-	-	-549.68551623; eV
	8-Sep-2017	Ni100-4	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-311.58597117; eV
	6-May-2019	CP-3Pd-i10	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1095.83381638; eV
	24-Jan-2020	/ts_freq/Ag R6	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-105.66201169; eV
	24-Jan-2020	/opt/Ag/Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-97.11071094; eV
	2-Aug-2018	MDsnap_trimer2_3380	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.62710790; eV

Results 951-960 of 2450 (Search time: 0.001 seconds).