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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jan-2018	/in_toluene PR3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g**	-1035.28885760; Eh
	23-Jan-2018	/in_toluene Toluene	Besora, Maria	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g**	-271.225658512; Eh
	8-Nov-2018	/water/complexes aq-shtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-615.5071696; Eh
	8-Nov-2018	/water/complexes aq-scntame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-707.7453645; Eh
	8-Nov-2018	/water/complexes aq-shticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1837.9715866; Eh
	8-Nov-2018	/water/complexes aq-shwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1032.882845; Eh
	8-Nov-2018	/water/complexes aq-shk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-427.2099123; Eh
	30-Sep-2021	/Water/TS_water ch3sh-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-450.258930634; Eh
	8-Nov-2018	/water/complexes aq-scnticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1930.2027227; Eh
	8-Nov-2018	/water/complexes aq-shZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2747.557884; Eh

Results 2171-2180 of 12842 (Search time: 0.005 seconds).