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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jan-2020	/OER/mid2fe mooh	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-837.35215017; eV
	8-Jan-2020	/OER/mid2fe mo	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-827.72307663; eV
	8-Jan-2020	/OER/mid2fe m	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-823.09600940; eV
	8-Jan-2020	/OER/mid2fe moh	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 12 2018 14:56:44) complex	Single point	DFT	-	-833.11666240; eV
	8-Jan-2020	/OER/tilt_fe m	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-774.45326841; eV
	28-Nov-2017	ss-AuPd-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-206.88333831; eV
	28-Nov-2017	ss-OsRu-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-493.86304245; eV
	28-Nov-2017	ss-AuPd-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-181.20024167; eV
	28-Nov-2017	ss-OsRu-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-501.64439354; eV
	30-Sep-2021	/Water/TS_water ch3c6h5-f-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-371.531549901; Eh

Results 33991-34000 of 104515 (Search time: 0.022 seconds).