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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2023	h-cl-Pt-edge-co-hom	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2365.31455507; eV
	10-Jul-2023	h-cl-Pt-keto2-het	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1985.16288520; eV
	10-Jul-2023	h-cl-Pt-epo2-het	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2027.32539810; eV
	10-Sep-2024	PhBr-Pd_Br	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1976.64272205; eV
	6-Sep-2024	/M06L/V V02O07-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	27-Jul-2024	/Ni_110/TS TS_CH2OH+H__CH3OH	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-466.46586206; eV
	27-Jul-2024	/Ni_110/TS TS_CH2O+H__CH2OH	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-462.57325467; eV
	30-May-2024	/CO2_react Au100-COOH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	6-Sep-2024	/M06L/V V03O10-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/V V01O05-5H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-

Results 1441-1450 of 100138 (Search time: 0.005 seconds).