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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2020	/opt/Fe/H lb	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-289.98649409; eV
	24-Jan-2020	/opt/Ag/CH2Br2 top_bri	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-113.82681404; eV
	24-Jan-2020	/opt/Ag/CH3Br top2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-115.93209358; eV
	24-Jan-2020	/opt/Ag/CH3 top_rot	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-113.29647546; eV
	24-Jan-2020	/ts_freq/Ir R5	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-303.85706632; eV
	24-Jan-2020	/ts_freq/Co R5	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-268.72198553; eV
	24-Jan-2020	/ts_freq/Cu R5	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-155.68342901; eV
	24-Jan-2020	/opt/Ag/CH4 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-118.07685449; eV
	24-Jan-2020	/opt/Ag/CBr top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-101.12023090; eV
	24-Jan-2020	/ts_freq/Ru R4	Garcia, Sergio Pablo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-337.17750907; eV

Results 17301-17310 of 103542 (Search time: 0.011 seconds).