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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/cm5 pFPhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-626.792821; Eh
	26-Aug-2024	geom20_w7_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-535.041314417; Eh
	25-Jun-2024	/Intermediates/Pt/110 C4H10N2_20	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-505.13565185; eV
	23-Sep-2022	/cm5 pMePh_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-525.1600206; Eh
	23-Sep-2022	/cm5 Ph_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-485.8286994; Eh
	23-Sep-2022	/cm5 Ph26FI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-726.0569053; Eh
	23-Sep-2022	/cm5 PhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-527.5244276; Eh
	7-Jun-2024	/Benchmark_adcluster_sites 4-5A-on100-ensemble_fixed-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	7-Jun-2024	/Benchmark_adcluster_sites 4-5A-on100-fixed-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/PTaW P01Ta01W08O31-3H-iso-600	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.22577405; Eh

Results 27381-27390 of 103542 (Search time: 0.019 seconds).