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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-RuPt-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-427.93760417; eV
	13-Jul-2018	3t	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-1824.36834853; Eh
	23-Jul-2018	/Surfaces Pt100-8H	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-273.34323601; eV
	30-Sep-2021	/Water/TS_water ch3sch3-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-489.571622076; Eh
	8-May-2019	/MnN4-O MnN4-O-H	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-661.05441314; eV
	4-Mar-2020	/condensation_mechanism/uo2_2no3_h2o_oh/monodentate monodentate	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	4-Mar-2020	/condensation_mechanism/u2o4_2oh_4py u2o4_2oh_4py	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	4-Mar-2020	/condensation_mechanism/uo2_2no3_h2o_oh/bidentate bidentate	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	4-Mar-2020	/condensation_mechanism/u2o4_2oh_2py u2o4_2oh_2py	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	13-Jul-2018	C6H6RuCl2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1246.79705734; Eh

Results 12531-12540 of 104079 (Search time: 0.01 seconds).