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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Feb-2019	MT_B-1e	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-1179.85392232; Eh
	9-Nov-2018	/vacuum/complexes closo3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-776.221886621; Eh
	27-Feb-2019	OH1-rad	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-75.7419532424; Eh
	22-Dec-2021	/MainMechanism/Ti Int3-2O	Garay Ruiz, Diego	ADF; 2016	Geometry optimization	PBE	TZ2P	-21.30251041; Eh
	28-May-2022	/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-Cu-COCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-316.13755686; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_H_CPstar II_H_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1204.0511062; Eh
	9-Nov-2018	/vacuum/complexes ch3-tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-256.578635499; Eh
	9-Nov-2018	/vacuum/complexes clfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1037.63519092; Eh
	9-Nov-2018	/vacuum/complexes ch3-nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-320.828726315; Eh
	9-Nov-2018	/vacuum/complexes clmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1724.90771495; Eh

Results 24261-24270 of 106051 (Search time: 0.015 seconds).