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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	ss-RuRe-2325	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-508.39197014; eV
	12-Feb-2019	ss-RuCd-2323	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-349.84443159; eV
	12-Feb-2019	ss-RuCd-2212	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-339.69716269; eV
	12-Feb-2019	ss-RuCd-2214	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-339.76112253; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-341.27621269; eV
	10-May-2016	/single_point_half_capsules C76_ABAB_half2	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	10-May-2016	/single_point_half_capsules C76_AASB_half2	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	10-May-2016	/single_point_half_capsules C76_ABSA_half1	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	10-May-2016	/single_point_half_capsules C76_ABAB_half1	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	12-Feb-2019	ss-NiFe-2522	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-335.84684581; eV

Results 33801-33810 of 103806 (Search time: 0.02 seconds).