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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 pf3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2331.19348337; Eh
	9-Nov-2018	/vacuum/complexes pf3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1119.71250987; Eh
	9-Nov-2018	/vacuum/complexes nhcalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1849.50507412; Eh
	9-Nov-2018	/vacuum/complexes pf3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-956.434968329; Eh
	9-Nov-2018	/vacuum/complexes nhcauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-705.003097932; Eh
	9-Nov-2018	/vacuum/complexes pme3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-773.858386903; Eh
	9-Nov-2018	/vacuum/complexes pf3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-669.135372607; Eh
	3-Oct-2019	water_sp2_ts_pdpf32_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-4213.01571295; Eh
	3-Oct-2019	ircrev_thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall13	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.33527847; Eh
	9-Nov-2018	/vacuum/complexes ncsticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1930.23027163; Eh

Results 6801-6810 of 12842 (Search time: 0.006 seconds).