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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/complexes sin-scnwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1125.0633504; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinafeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-825.6100341; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinafecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1292.4598932; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinaircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1152.2060624; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinamosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1512.7318914; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinamno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-577.9785536; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinanbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-529.0395298; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinak	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-276.4745886; Eh
	9-Nov-2018	/vacuum/complexes imidazolcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-538.971896077; Eh
	30-Sep-2021	/Water/TS_water ch3seh-br-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-2455.38327059; Eh

Results 5151-5160 of 12842 (Search time: 0.006 seconds).