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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/100/K_3_H2O/NEB/CO2+H2O_e_COOH sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-253.81120115; eV
	25-Apr-2024	/Ag/100/K_3_H2O/H_ sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-234.97007027; eV
	25-Apr-2024	/Ag/100/K_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	-	-231.04633510; eV
	19-Mar-2026	/V V08O24-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.63364359; Eh
	26-Aug-2024	geom60_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8436995; Eh
	25-Jun-2024	/Intermediates/Ni/100 C3H8N2_7	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-320.42358210; eV
	25-Jun-2024	/Intermediates/Au/100 C3H9N_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-216.52591840; eV
	25-Jun-2024	/Intermediates/Au/100 C4H9N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.23588368; eV
	25-Apr-2024	/Ag/100/K_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	-	-253.93665435; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_073 disp_073	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60571563; eV

Results 74671-74680 of 104126 (Search time: 0.049 seconds).