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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Feb-2022	/intermediates-electric-field Cu(100)-6x6-HCO3-E-n03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-538.65586936; eV
	15-Feb-2022	/intermediates Cu(111)-6x6-Cu2CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-571.45415631; eV
	15-Feb-2022	/intermediates Cu(111)-6x6-CuOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-566.16963445; eV
	15-Feb-2022	/intermediates Cu(711)-1x6-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-349.18594128; eV
	15-Feb-2022	/intermediates Cu(100)-6x6-2CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-535.24809346; eV
	15-Feb-2022	/intermediates Cu(100)-6x6-HCO3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-538.13165500; eV
	15-Feb-2022	/intermediates Cu(100)-6x6-OCHO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-530.94891310; eV
	15-Feb-2022	/intermediates Cu(100)-6x6-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-519.53566700; eV
	15-Feb-2022	/intermediates Cu(111)-6x6-phen	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-824.32979112; eV
	15-Feb-2022	/intermediates Cu(111)-6x6-2H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-521.66144182; eV

Results 31-40 of 694 (Search time: 0.002 seconds).