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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/4_1/H_ opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-239.22940333; eV
	6-Sep-2024	/M06L/V V04O13-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	13-May-2024	/Water H4O2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.06455822; Eh
	6-Sep-2024	/PBE/Mo H2O	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	10-Jul-2023	c2h2-PtCl2-edge-cooh-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2407.42595209; eV
	10-Jul-2023	c2h2-PtCl2-edge-co-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2387.88031492; eV
	10-Jul-2023	c2h2-PtCl2-keto4-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1982.71687864; eV
	10-Jul-2023	c2h2-PtCl-epo2-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2047.63356484; eV
	10-Jul-2023	c2h2-PtCl-keto2-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2006.02572518; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_077 disp_077	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61502495; eV

Results 2201-2210 of 100136 (Search time: 0.004 seconds).