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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_Br_Cpstar III_Br_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1216.6171917; Eh
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_Hydrogen_ Energy_of_Hydrogen_	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-6.77313915; eV
	1-Sep-2023	A1-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1982.8698276; Eh
	18-Nov-2019	COFbpy-A-isomer-1b	Ortuño, Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complex	Geometry optimization	DFT	-	-1570.44066314; eV
	19-Mar-2026	/AsMo As01Mo11O39-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.04965666; Eh
	19-Mar-2026	/VW V00W03O09-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.57139113; Eh
	6-May-2019	CP-3Pd-i23	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1128.36004447; eV
	6-May-2019	CP-3Pd-i22	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1127.69461749; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/Energy_of_gas_phase/Energy_of_Hydrogen_ PBEsol	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-6.51532597; eV
	18-Nov-2019	COFbpy-A-isomer-2c	Ortuño, Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complex	Geometry optimization	DFT	-	-1570.32363385; eV

Results 34641-34650 of 103542 (Search time: 0.021 seconds).