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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-cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-406.8700685; Eh
	9-Nov-2018	/water//water complexes aq-ch3-fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1544.9062935; Eh
	9-Nov-2018	/water//water complexes aq-ch3-mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1304.5824965; Eh
	9-Nov-2018	/water//water complexes aq-ch3-k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-68.231539; 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
	9-Nov-2018	/vacuum/complexes imidazolircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1130.16485817; Eh

Results 11451-11460 of 12354 (Search time: 0.008 seconds).