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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Nov-2023	/cu_metal_electrode/second_pcet/at_C/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-313.75284220; eV
	6-Nov-2023	/surface_coverage/ni/o/3/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-69.56592571; eV
	6-Nov-2023	/surface_coverage/ni/o/2 2	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-64.26945346; eV
	6-Nov-2023	/surface_coverage/ni/o/3 3	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-69.55879126; eV
	6-Nov-2023	/surface_coverage/ni/o/2/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-64.27531666; eV
	6-Nov-2023	/surface_coverage/ni/o/1 1	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-58.10766740; eV
	6-Nov-2023	/surface_coverage/ni/o/1/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-58.11309776; eV
	6-Nov-2023	/surface_coverage/ni/oh/4/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-91.75130207; eV
	6-Nov-2023	/surface_coverage/ni/oh/4 4	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-91.74555850; eV
	6-Nov-2023	/surface_coverage/pt/h/2/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-74.10693185; eV

Results 31-40 of 221 (Search time: 0.001 seconds).