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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/i112101 0	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-263.42092371; eV
	19-Nov-2024	/Ag/111/K_3_H2O/GC_DFT/3_1/slab 4_M	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-236.49378587; eV
	30-Aug-2024	/gas tbubp	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-285.94398179; eV
	6-Sep-2024	/M06L/PMo P01Mo09O31-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	19-Nov-2024	/Ag/111/Li_3_H2O/HCOOH freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-266.48817225; eV
	6-Sep-2024	/BP86/W W04O13-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	16-Jul-2024	/M_Fe_N_din6_s_c3_013/Rh_Fe_N_din6_s_c3_013 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.06045267; eV
	16-Jul-2024	/M_Fe_N_din6_s_c3_013/Ru_Fe_N_din6_s_c3_013 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.48360547; eV
	10-Jul-2023	c2h2-Pt-edge-co-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2382.31630712; eV
	10-Jul-2023	c2h2-Pt-keto4-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1978.39048494; eV

Results 711-720 of 100136 (Search time: 0.004 seconds).