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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes hewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-636.794654452; Eh
	9-Nov-2018	/vacuum/complexes heznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-269.662518643; Eh
	9-Nov-2018	/water//water complexes aq-brk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-41.8521057; Eh
	9-Nov-2018	/water//water complexes aq-bpinalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1877.4308632; Eh
	9-Nov-2018	/water//water complexes aq-brconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-441.9381015; Eh
	9-Nov-2018	/water//water complexes aq-bpinmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-583.992376; Eh
	9-Nov-2018	/water//water complexes aq-bpinznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.0894305; Eh
	9-Nov-2018	/water//water complexes aq-bpinoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-570.1747573; Eh
	9-Nov-2018	/water/metal_frag aq-conh35bb3lyp_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-428.3030935; Eh
	9-Nov-2018	/vacuum/complexes herhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-494.401060892; Eh

Results 10921-10930 of 12354 (Search time: 0.008 seconds).