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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Au/100 C3H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-208.32413190; eV
	25-Jun-2024	/Intermediates/Au/100 C2H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-199.87734544; eV
	6-Sep-2024	/PBE/Ta Ta10O28-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.29731154; Eh
	25-Jun-2024	/Intermediates/Au/100 C2H5N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-191.98255952; eV
	25-Apr-2024	/Ag/100/K_3_H2O/CO sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-246.83119785; eV
	25-Apr-2024	/Ag/100/no_cation/COOH opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-210.16945174; eV
	6-Sep-2024	/PBE/Ta Ta08O25-4H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-11.95911228; Eh
	25-Jun-2024	/Intermediates/Ni/100 C3H7NO_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-314.72757439; eV
	25-Jun-2024	/Intermediates/Au/100 C4H10O_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-227.80203091; eV
	25-Jun-2024	/Intermediates/Au/100 C4H10O_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-227.33847600; eV

Results 75271-75280 of 104126 (Search time: 0.068 seconds).