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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Nov-2023	/zn/n/most_stable/frequency frequency	Ciotti, Anna	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Frequencies	DFT	-	83.39045389; eV
	7-Nov-2023	/surface_coverage/cu/h/3/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-17.03004299; eV
	7-Nov-2023	/surface_coverage/cu/h/2 2	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-13.51253646; eV
	7-Nov-2023	/cu/nh2oh/most_stable most_stable	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-90.37779184; eV
	7-Nov-2023	/cu/nh2oh/most_stable/frequency frequency	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-90.37779447; eV
	7-Nov-2023	/cu/n2/most_stable most_stable	Ciotti, Anna	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-82.12471050; eV
	7-Nov-2023	/cu/n/most_stable most_stable	Ciotti, Anna	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-72.37015474; eV
	7-Nov-2023	/cu/n2/most_stable/frequency frequency	Ciotti, Anna	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Frequencies	DFT	-	-82.12471576; eV
	7-Nov-2023	/cu/n/most_stable/frequency frequency	Ciotti, Anna	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Frequencies	DFT	-	-72.37015512; eV
	7-Nov-2023	/zn/h2no/most_stable most_stable	Ciotti, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	69.53269560; eV

Results 441-450 of 481 (Search time: 0.002 seconds).