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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-AuPd-COCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-291.19978252; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-AuPd-COCH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-286.77030250; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-AuPd-2CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-291.66384394; eV
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-AuPd-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-289.63282849; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Au-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-310.29702744; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Au-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-297.26055833; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(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	-	-281.86509843; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Au-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-281.60332225; eV
	28-May-2022	/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Au-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-285.12191046; eV
	6-May-2019	CP-3Pd-i29	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1119.27873218; eV

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