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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2017	/Deacon/V transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Frequencies	-	-	-889.29795827; eV
	10-Jul-2017	Keggin-TS_diss	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Improved Dimer Method	-	-	-545.51706252; eV
	9-Nov-2018	/vacuum/complexes omepdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-586.273723911; Eh
	2-Aug-2018	MDsnap_trimer2_1500	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2225.30293483; eV
	2-Aug-2018	MDsnap_trimer2_1200	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.90123526; eV
	2-Aug-2018	MDsnap_trimer2_1540	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.72251869; eV
	28-Nov-2017	ss-RhZn-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-276.55561913; eV
	2-Aug-2018	MDsnap_trimer2_1460	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.53484280; eV
	2-Aug-2018	MDsnap_trimer2_1180	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.99483387; eV
	10-Jul-2017	Keggin-G_diss	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-546.07955397; eV

Results 19971-19980 of 104510 (Search time: 0.013 seconds).