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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-PdRh-2302	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-272.23308623; eV
	12-Feb-2019	sa-PdRu-2202	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-270.35356916; eV
	12-Feb-2019	sa-OsPd-1212	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-535.80478626; eV
	12-Feb-2019	sa-PdCo-1111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-262.46263726; eV
	12-Feb-2019	sa-PdFe-2001	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-261.47313005; eV
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_0_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-324.34797304; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-328.26708254; eV
	26-Nov-2021	/Circular_Dichroism CD_(S)-2,3-allenol	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-
	13-Apr-2021	3O-doped-Ni(100)-3x3-CH-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-427.28363485; eV

Results 25391-25400 of 104592 (Search time: 0.016 seconds).