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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 sime3agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-782.525350536; Eh
	9-Nov-2018	/vacuum/complexes tiofenoincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1475.14303518; Eh
	9-Nov-2018	/noDisp/complexes sin-cnoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-408.8087443; Eh
	9-Nov-2018	/vacuum/complexes smecucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-728.449349718; Eh
	9-Nov-2018	/vacuum/complexes smeznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-721.614404971; Eh
	9-Nov-2018	/vacuum/complexes sime3crh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-878.238571904; Eh
	9-Nov-2018	/vacuum/complexes sime3snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-532.413333388; Eh
	9-Nov-2018	/vacuum/complexes tiofenogacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1935.84051267; Eh
	9-Nov-2018	/vacuum/complexes tiofenoaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-781.663329694; Eh
	9-Nov-2018	/vacuum/complexes smehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-614.692492439; Eh

Results 11251-11260 of 12354 (Search time: 0.008 seconds).