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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes scnznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-774.516186275; Eh
	9-Nov-2018	/vacuum/complexes scnzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2099.04696847; Eh
	9-Nov-2018	/vacuum/complexes shcucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-689.143825373; Eh
	9-Nov-2018	/vacuum/complexes scucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-688.432577555; Eh
	9-Nov-2018	/vacuum/complexes shaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1915.35283393; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall5	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28401019; Eh
	9-Nov-2018	/vacuum/complexes imidazolnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2320.25491331; Eh
	9-Nov-2018	/vacuum/complexes nme3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-350.978359840; Eh
	9-Nov-2018	/vacuum/complexes nme3cucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-464.746046039; Eh
	9-Nov-2018	/vacuum/complexes ofenoaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-458.673353710; Eh

Results 11381-11390 of 12354 (Search time: 0.009 seconds).