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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-May-2019	DI-1Pd-i23	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1121.96110341; eV
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_4_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-
	12-Feb-2019	ol-AgAu-2223	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-170.35979073; eV
	12-Feb-2019	ol-CuPd-2222	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-227.94203474; eV
	12-Feb-2019	ol-AuPd-2222	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-210.30059641; eV
	12-Feb-2019	ol-AuPt-2313	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-215.48230562; eV
	12-Feb-2019	ol-AgAu-1401	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-157.27120223; eV
	12-Feb-2019	ol-AuZn-1312	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-152.49673294; eV
	12-Feb-2019	ol-AgCd-1111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-121.84300437; eV
	12-Feb-2019	ol-CuOs-1001	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-259.28172331; eV

Results 33411-33420 of 104079 (Search time: 0.023 seconds).