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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2023	/Minima_Calculations/W04O14H0_intC W04O14H0_intC	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.13648919; Eh
	1-Mar-2023	/Minima_Calculations/W05O16H1_int W05O16H1_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.84447842; Eh
	1-Mar-2023	/Minima_Calculations/W01O5H4_int W01O5H4_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-2.31348523; Eh
	1-Mar-2023	/Minima_Calculations/W02O8H1_int W02O8H1_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-3.60719774; Eh
	1-Mar-2023	/Minima_Calculations/W01O4H2_int W01O4H2_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-1.77731672; Eh
	31-Jul-2023	/M_N_SACs/M_tr_C4N1_C5N0/Ag_tr_C4N1_C5N0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-652.46998427; eV
	25-Jun-2024	/Intermediates/Pt/110 CH2O3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-451.38016410; eV
	25-Jun-2024	/Intermediates/Ag/110 C2H2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-206.94561819; eV
	25-Jun-2024	/Intermediates/Rh/110 C4H8O2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ir/111 C2H3O_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-

Results 46961-46970 of 104079 (Search time: 0.029 seconds).