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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-COCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-356.80203893; eV
	26-Aug-2024	geom137_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5195526; Eh
	18-Jun-2024	/Transition_states/Pt/111 2215-2113	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	1-Mar-2022	Pt-4O-2Ce3-29_32	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.97692585; eV
	6-Aug-2020	/freq/intermediates/Cu/CHF hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-150.03080957; eV
	6-Aug-2020	/freq/intermediates/Cu/CI hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-144.07882312; eV
	28-May-2019	/M4O14_3H_5iso M4O14_3H_5iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
	28-May-2019	/M4O14_3H_3iso M4O14_3H_3iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
	28-May-2019	/M4O14_3H_4iso M4O14_3H_4iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
	28-Nov-2017	ss-PtCu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-291.03762647; eV

Results 24841-24850 of 93762 (Search time: 0.017 seconds).