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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/PW P01W03O13-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.49983864; Eh
	25-Apr-2024	/Ag/111/Cs_3_H2O/NEB/CO2+H2O_e_COOH freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-257.16391425; eV
	25-Apr-2024	/Ag/111/K_3_H2O/NEB/H2O_e_H sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-234.17552646; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/slab sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-1991.10587601; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/COOH opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-261.11527678; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/CO2 sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-257.77217876; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/slab opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-234.97792627; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/CO opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-250.14876614; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/CO2 freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-261.61902550; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/CO lsolvf	Seemakurthi, Ranga Rohit	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-250.15688122; eV

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