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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2924-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1401.97227766; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2928-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.05508040; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2931-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.23012113; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2930-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.20125944; eV
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-nhcho_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-309.247579367; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-294.366251726; Eh
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2952-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1401.57647244; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2935-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.50530780; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2933-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.08787890; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2934-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.35140330; eV

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