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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/slabs/slabs ni3p2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-632.84846105; eV
	9-Nov-2018	/water//water complexes aq-h2oticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1515.4057994; Eh
	9-Nov-2018	/water//water complexes aq-h2orush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1766.6343204; Eh
	9-Nov-2018	/water//water complexes aq-h2ocro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-389.1588636; Eh
	9-Nov-2018	/water//water complexes aq-h2ooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-392.285877; Eh
	23-Aug-2018	/slabs/segregation/ni5p4 layer7_Ni_19_P_192	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1283.67639438; eV
	23-Aug-2018	/slabs/islanding/ni5p4 1_2_106	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-841.67048160; eV
	23-Aug-2018	/slabs/islanding/ni3p2 1_6_75	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-631.55102989; eV
	1-Jun-2024	/Bulks/Alloys InPd₃_a	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	23-Aug-2018	/gas hcch	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-22.95150791; eV

Results 21091-21100 of 103542 (Search time: 0.012 seconds).