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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Jun-2021	/redCO2 Pd(111)-In-surf-CO-fcc-3Pd-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-338.60356758; eV
	6-Jun-2021	/redCO2 Pd(111)-In-surf-H-hcp-2Pd1In	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-325.62097878; eV
	3-Feb-2021	/CO-frequencies Cu(100)-3x3-CO-B-11ML	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-141.70560177; eV
	6-Jun-2021	/surfaces Pd(111)	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-315.62875629; eV
	6-Jun-2021	/surfaces In(110)	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-77.15887289; eV
	6-Jun-2021	/redCO2 Pd(111)-In-surf-H-fcc-2Pd1In-fix-surf	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-324.77322456; eV
	6-Jun-2021	/redCO2 Pd(111)-In-surf-COOH-top-Pd-adjIn	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-348.25858650; eV
	3-Feb-2021	/CO-frequencies frq-Cu(100)-c5sqrt2xsqrt2-6CO-T-60ML	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-701.34649603; eV
	3-Feb-2021	/CO-frequencies Cu(100)-4x2-6CO-4T2B-75ML	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-205.90444786; eV
	3-Feb-2021	/CO-frequencies Cu(100)-4x2-6CO-2T4B-75ML	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-205.89805828; eV

Results 57911-57920 of 104126 (Search time: 0.037 seconds).