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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	H3O	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-0.47246543; Eh
	29-Jul-2021	H2O	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-0.52905636; Eh
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_75-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-101.87743190; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_25-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-102.23683925; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_25-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-102.22846210; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_75-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-101.95695144; eV
	25-Jun-2024	/Intermediates/Rh/100 C4H10N2_19	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-416.61199878; eV
	29-Jul-2021	i242103+i101101-i343110+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-186.02272301; eV
	31-Jan-2022	/Periodic_Surface LS_Co-vac_Surface	Hegner, Franziska Simone	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-694.60050226; eV
	4-Sep-2023	TSE1-2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-1061.31636343; Eh

Results 63291-63300 of 104471 (Search time: 0.037 seconds).