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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-344.00038197; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-CO2CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-359.25541257; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-HOCCOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-351.57518069; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-OCHCH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-352.99286322; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-OCCHO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-348.12576518; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-CHO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-332.23249147; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-COH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-332.07333270; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-COH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-332.40803459; eV
	3-Mar-2022	b110_surf-peroxo-cov_100-pt_ads-xps-o46	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-736.46931214; eV
	3-Mar-2022	b110_surf-pris-geo_opt-xps-subsurface-o01	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-713.49348380; eV

Results 62541-62550 of 104471 (Search time: 0.043 seconds).