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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/vacuum/complexes smenipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2532.21494820; Eh
	8-Nov-2018	/water/complexes aq-hecro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-315.5856023; Eh
	8-Nov-2018	/water/complexes aq-hefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1047.1373142; Eh
	8-Nov-2018	/water/complexes aq-hefeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-580.1949533; Eh
	8-Nov-2018	/water/complexes aq-hefecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1507.7969503; Eh
	8-Nov-2018	/vacuum/complexes omenbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-396.100694019; Eh
	8-Nov-2018	/vacuum/complexes sih3-k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-319.599511211; Eh
	8-Nov-2018	/water/complexes aq-heircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-906.846672; Eh
	8-Nov-2018	/water/complexes aq-hek	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-31.1834729; Eh
	22-Jun-2018	/PG_Propen_2_ol TS_PGHa_PGa	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1147.25486234; eV

Results 27471-27480 of 104508 (Search time: 0.018 seconds).