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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Apr-2022	/adsorption/dithiols/octdt/octdt_znse/bidentate/frequency frequency	Ciotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complex	Frequencies	DFT	-	-297.76642265; eV
	25-Feb-2021	/Adsorption/O fcc	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-58.20410939; eV
	23-May-2022	/CoCu_fcc FAL-tilt-5-Cl	Ortuño Maqueda, Manuel Angel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex	Geometry optimization	DFT	-	-783.08267790; eV
	23-May-2022	/CoCu_fcc FAL-tilt-0-Cl	Ortuño Maqueda, Manuel Angel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex	Geometry optimization	DFT	-	-762.07257278; eV
	23-May-2022	/CoCu_fcc FAL-flat-0-Cl	Ortuño Maqueda, Manuel Angel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex	Geometry optimization	DFT	-	-762.92386449; eV
	30-Mar-2022	/Co_fcc Co-1-Cl	Ortuño Maqueda, Manuel Angel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex	Geometry optimization	DFT	-	-689.00871171; eV
	13-Apr-2022	/reaction_intermediates/hexdt/e/co2 co2	Ciotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complex	Geometry optimization	DFT	-	-701.08625926; eV
	13-Apr-2022	/reaction_intermediates/hexdt/f/co2 co2	Ciotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complex	Geometry optimization	DFT	-	-701.01912691; eV
	13-Apr-2022	/reaction_intermediates/hexdt/e/cooh cooh	Ciotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complex	Geometry optimization	DFT	-	-704.14960645; eV
	13-Apr-2022	/reaction_intermediates/hexdt/e/co co	Ciotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complex	Geometry optimization	DFT	-	-693.01977416; eV

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