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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-ch3-cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-352.8085911; Eh
	9-Nov-2018	/vacuum/complexes imidazolmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1490.68787894; Eh
	9-Nov-2018	/water//water complexes aq-brznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-280.5325271; Eh
	9-Nov-2018	/water//water complexes aq-ch3-alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1663.3387712; Eh
	9-Nov-2018	/noDisp/complexes sin-heircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-906.7419277; Eh
	30-Sep-2021	/Water/TS_water ch3sch3-seh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2880.31129659; Eh
	9-Nov-2018	/water//water complexes aq-brticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1452.5807083; Eh
	9-Nov-2018	/noDisp/complexes sin-hefeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-580.1821452; Eh
	9-Nov-2018	/noDisp/complexes sin-hepdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-473.9932667; Eh
	9-Nov-2018	/noDisp/complexes sin-healcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1626.1350953; Eh

Results 4651-4660 of 12842 (Search time: 0.004 seconds).