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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Apr-2024	/Ag/111/Cs_3_H2O/CO2 sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-3521.14721100; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/NEB/H2O_e_H freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-233.38175990; eV
	25-Apr-2024	/Ag/111/Cs_6_H2O/CO2 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-301.93455919; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/slab sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-235.00803264; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/CO2 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-257.76571362; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/CO sol_vs37_of	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-250.16527505; eV
	25-Apr-2024	/Ag/111/Cs_3_H2O/H_ opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-238.21429691; eV
	6-Sep-2024	/PBE/PMo P01Mo05O19-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.80132090; Eh
	25-Jun-2024	/Intermediates/Ni/100 C4H9NO2_6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-338.37063455; eV
	25-Jun-2024	/Intermediates/Ni/100 C3H7NO2_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-321.57952718; eV

Results 72891-72900 of 104128 (Search time: 0.043 seconds).