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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes brcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-380.312474719; Eh
	9-Nov-2018	/vacuum/complexes brZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2361.92568307; Eh
	9-Nov-2018	/vacuum/complexes brnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-294.370111160; Eh
	9-Nov-2018	/vacuum/complexes brrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-505.554029480; Eh
	26-Aug-2024	geom137_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.960549; Eh
	9-Nov-2018	/vacuum/metal_frag tame4_frompiram2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-216.353561612; Eh
	9-Nov-2018	/vacuum/metal_frag gacl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1382.80931316; Eh
	10-May-2016	/full_capsule_optimisations C60_AASA	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-78.88743227; Eh
	30-Apr-2019	c2F	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2498.2101897; Eh
	30-Apr-2019	c8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2498.2573648; Eh

Results 25681-25690 of 106048 (Search time: 0.015 seconds).