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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Nov-2024	/Ag/111/K_3_H2O/GC_DFT/3_1/COOH opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-262.72241044; eV
	6-Sep-2024	/M06L/PMo P01Mo11O39-3H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/PMo P01Mo06O22-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	19-Nov-2024	/Ag/111/Li_3_H2O/HCOOH opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-266.48840125; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_022 disp_022	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61230852; eV
	13-May-2024	/Water H2O	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-0.52905268; Eh
	6-Sep-2024	/PBE/Mo H3O	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	9-Sep-2024	/Ni/111/adsorption/CH3CH2O opt	Seemakurthi, Ranga Rohit	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-294.78463650; eV
	9-Sep-2024	/Ni/111/adsorption/CO opt	Seemakurthi, Ranga Rohit	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-267.84357211; eV
	10-Jul-2023	Pt-keto2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1977.97654165; eV

Results 1091-1100 of 100136 (Search time: 0.004 seconds).