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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-on-OD-Cu-261-HCOOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1864.96163972; eV
	10-Jul-2022	/solvation sol-off-OD-Cu-261-CO3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1864.03519699; eV
	10-Jul-2022	/solvation sol-off-OD-Cu-261-HCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1861.50638008; eV
	10-Jul-2022	/solvation sol-on-OD-Cu-261-HCO3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1869.64311318; eV
	10-Jul-2022	/solvation sol-on-OD-Cu-261-HCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1862.14460814; eV
	10-Jul-2022	/solvation sol-on-OD-Cu-261-CO3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1865.01043148; eV
	18-Jun-2024	/Transition_states/Pt/111 2215-2101+0111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	1-Mar-2022	Ru-4O-2Ce3-32_34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-860.71532937; eV
	10-Jul-2022	/solvation sol-off-OD-Cu-261-COCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1872.06230658; eV
	22-Dec-2021	/MainMechanism/Ti M-OR	Garay Ruiz, Diego	ADF; 2016	Geometry optimization	PBE	TZ2P	-19.27539492; Eh

Results 60801-60810 of 104157 (Search time: 0.035 seconds).