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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Aug-2018	VIII_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31g(d); sdd	-1386.13884354; Eh
30-Aug-2018	TS_IX	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31g(d); sdd	-1174.91477106; Eh
30-Aug-2018	TS_IV	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UBP86	6-31g(d); sdd	-1114.51577857; Eh
30-Aug-2018	TS_VI	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UBP86	6-31g(d); sdd	-1190.95957074; Eh
30-Aug-2018	TS_VII	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UBP86	6-31g(d); sdd	-1386.09725987; Eh
30-Aug-2018	TS_V	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UBP86	6-31g(d); sdd	-1114.51816584; Eh
30-Aug-2018	TS_II	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31g(d); sdd	-1147.57523784; Eh
30-Aug-2018	V	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UBP86	6-31g(d); sdd	-1114.53305168; Eh
30-Aug-2018	VII	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UBP86	6-31g(d); sdd	-1386.11820996; Eh
30-Aug-2018	newTSsqplanarNO2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31g(d); sdd	-1352.11863773; Eh

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