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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-ph3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-343.1395585; Eh
	9-Nov-2018	/vacuum/complexes sznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-681.916671542; Eh
	9-Nov-2018	/vacuum/complexes xeyh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-435.138668884; Eh
	9-Nov-2018	/vacuum/complexes sih3-k_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-319.603266411; Eh
	9-Nov-2018	/vacuum/complexes ofenozrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-622.479526712; Eh
	9-Nov-2018	/vacuum/complexes shnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2492.90503472; Eh
	9-Nov-2018	/vacuum/complexes snipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2492.21113917; Eh
	9-Nov-2018	/noDisp/ligands sin-nhcb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-226.179735; Eh
	9-Nov-2018	/noDisp/ligands sin-fb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-99.8588397; Eh
	9-Nov-2018	/vacuum/complexes xek_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-43.6834177187; Eh

Results 11351-11360 of 12354 (Search time: 0.01 seconds).