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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/ligands sin-pcl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1721.9912137; Eh
	9-Nov-2018	/noDisp/ligands sin-ncsb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-491.1133992; Eh
	9-Nov-2018	/noDisp/ligands sin-ib3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-11.5189096; Eh
	9-Nov-2018	/noDisp/ligands sin-xeb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-15.5392821; Eh
	9-Nov-2018	/vacuum/complexes pme3nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2555.15154006; Eh
	9-Nov-2018	/vacuum/complexes pcl3yh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2141.61524205; Eh
	9-Nov-2018	/vacuum/complexes pme3agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-834.207659417; Eh
	9-Nov-2018	/vacuum/complexes pf3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-817.452997397; Eh
	9-Nov-2018	/vacuum/complexes pcl3cucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2012.22518734; Eh
	9-Nov-2018	/vacuum/complexes pme3crh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-929.809519857; Eh

Results 11311-11320 of 12354 (Search time: 0.008 seconds).