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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Ru-4-32	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-353.38597031; eV
	8-May-2017	Ru-34104	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-366.59339844; eV
	8-Nov-2018	/water/complexes aq-hehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-179.4249507; Eh
	23-Aug-2018	/ni4p3_ni5p4/c2h2 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-868.04726447; eV
	8-May-2017	Ru-33310	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-376.71827799; eV
	8-Nov-2018	/water/complexes aq-heincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-925.0759644; Eh
	23-Aug-2018	/ni4p3_ni5p4/c2h4 13	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-875.43041156; eV
	23-Aug-2018	/ni4p3_ni5p4/c2h4 17	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-877.40232182; eV
	23-Aug-2018	/ni4p3_ni5p4/c2h4 14	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-875.24252036; eV
	8-May-2017	Pt-6-13	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-310.48730703; eV

Results 21901-21910 of 104508 (Search time: 0.013 seconds).