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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-IrAu-2422	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-376.46741877; eV
	12-Feb-2019	ss-NiCo-2421	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-317.86777972; eV
	12-Feb-2019	ss-IrPd-2221	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-399.68764148; eV
	12-Feb-2019	ss-IrNi-2312	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-402.40677875; eV
	12-Feb-2019	ss-OsCo-2401	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-496.90377515; eV
	12-Feb-2019	ss-CuOs-1111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-269.88748291; eV
	12-Feb-2019	ss-OsPt-1101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-463.18586259; eV
	10-May-2016	/single_point_half_capsules C76_SBSB_half1	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	10-May-2016	/single_point_half_capsules C76_ABSA_half2	Serapian, Stefano	ADF; 2013; 01	Single point	DFT	TZP	-
	29-Jan-2016	Structure_of_the_molecular_triangle_2_(ONIOM)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; BP86; PM6	6-311G(d,p); LANL2DZ	-17.6018727927; Eh

Results 25351-25360 of 104592 (Search time: 0.017 seconds).