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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 imidazolconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-654.020296032; Eh
	9-Nov-2018	/vacuum/complexes imidazolauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-705.006712677; Eh
	9-Nov-2018	/water//water complexes aq-bralcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1636.8706001; Eh
	9-Nov-2018	/water/metal_frag aq-fecl3-b3lyp_high	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1504.8882614; Eh
	9-Nov-2018	/water//water complexes aq-bpinZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2602.7193123; Eh
	9-Nov-2018	/water//water complexes aq-bpinmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1518.6793167; Eh
	9-Nov-2018	/water//water complexes aq-brcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-380.4136292; Eh
	9-Nov-2018	/water//water complexes aq-brpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-828.3077465; Eh
	9-Nov-2018	/water/metal_frag aq-incl2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-922.1682669; Eh
	9-Nov-2018	/water/metal_frag aq-oso3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-315.8111485; Eh

Results 5171-5180 of 12842 (Search time: 0.006 seconds).