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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Oct-2021	L_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-2507.54394479; Eh
	29-Jul-2021	i241102+i121102-i362204+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-185.48151825; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1_NO2 1_NO2	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-680.345805757; Eh
	21-Oct-2021	P2W17-mono-Open	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-
	21-Oct-2021	SiW10-Reactant-open	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-
	21-Oct-2021	H5O2	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-
	12-Mar-2021	/C-C-coupling Cu(100)-3sqrt2x3sqrt2-NEB-CObCOb-1	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-352.12617866; eV
	12-Mar-2021	/C-C-coupling Cu(100)-3sqrt2x3sqrt2-NEB-COtCOt-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-351.96070415; eV
	29-Jul-2021	i232103+i100101-i33210a+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-173.69434692; eV
	29-Jul-2021	i232103+i121102-i35310c+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-188.86639350; eV

Results 63341-63350 of 104471 (Search time: 0.042 seconds).