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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	/noDisp/complexes sin-brmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-343.3479532; Eh
	9-Nov-2018	/noDisp/ligands sin-sih3-b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-291.2822943; Eh
	9-Nov-2018	/vacuum/complexes sih3-cucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-581.610166588; Eh
	9-Nov-2018	/noDisp/complexes sin-brfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-590.8196668; Eh
	9-Nov-2018	/noDisp/complexes sin-brcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-380.2939823; Eh
	9-Nov-2018	/noDisp/complexes sin-brptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-632.1046518; Eh
	9-Nov-2018	/noDisp/complexes sin-brauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-492.3863467; Eh
	9-Nov-2018	/noDisp/ligands sin-fenilomeb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-346.128063; Eh
	9-Nov-2018	/noDisp/ligands sin-brb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-13.4719947; Eh
	9-Nov-2018	/noDisp/ligands sin-ib3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-11.5189096; Eh

Results 23711-23720 of 103928 (Search time: 0.013 seconds).