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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/ligands sin-ph3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-343.1395585; Eh
	9-Nov-2018	/vacuum/complexes sznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-681.916671542; Eh
	9-Nov-2018	/noDisp/ligands sin-clb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-460.2714634; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-nch33-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-556.950920994; Eh
	9-Nov-2018	/vacuum/complexes tiofenohgi2_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-729.482704121; Eh
	9-Nov-2018	/vacuum/complexes xeZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2364.03736071; Eh
	9-Nov-2018	/vacuum/complexes xenbnh24_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-296.240554044; Eh
	9-Nov-2018	/vacuum/complexes oZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2423.54781808; Eh
	9-Nov-2018	/noDisp/ligands sin-ch3-b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-39.8406581; Eh
	9-Nov-2018	/noDisp/ligands sin-h2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1.1754824; Eh

Results 5971-5980 of 12842 (Search time: 0.005 seconds).