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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Apr-2023	/redCO2 Cu(310)-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-134.26005330; eV
	13-Apr-2023	/redCO2 Cu(711)-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-204.23120652; eV
	13-Apr-2023	/DOS Cu(711)-2AD-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-175.66268582; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au24Cuk_SH-00_COOH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	14-Jun-2024	/Au25_clusters/Au25_react Au24Cuk_SH-00_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	29-Jan-2024	V_Int4_OH	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	29-Jan-2024	V_Int2_OH	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	29-Jan-2024	V_Int3_OH	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	1-May-2023	/Energy-profiles/r-TiO₂-1vac r-MF-H₂O_OH	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-2038.13384078; eV
	1-May-2023	/Energy-profiles/a-TiO₂-1vac a-MF-H₂O_OH	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1259.42469112; eV

Results 29661-29670 of 101953 (Search time: 0.018 seconds).