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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas PU_methoxycarb_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2046.74409114; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS1_1	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Improved Dimer Method	DFT	-	-2006.41948405; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas PU1_ads_1	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Geometry optimization	DFT	-	-2006.79670863; eV
	2-Aug-2018	MDsnap_dimer1_300	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2214.04979621; eV
	2-Aug-2018	MDsnap_dimer1_60	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.81008910; eV
	2-Aug-2018	MDsnap_dimer1_280	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2216.73909763; eV
	2-Aug-2018	MDsnap_dimer1_20	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2226.80569920; eV
	2-Aug-2018	MDsnap_dimer1_100	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2225.25236883; eV
	2-Aug-2018	MDsnap_dimer1_40	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2226.93425824; eV
	2-Aug-2018	MDsnap_dimer1_80	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2218.48032808; eV

Results 12981-12990 of 104583 (Search time: 0.01 seconds).