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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
30-Aug-2018	SP_MECP_VIII_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-31g(d); sdd	-1386.11442410; Eh
30-Aug-2018	SP_MECP_VIII_triplet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UBP86	6-31g(d); sdd	-1386.11441752; Eh
30-Aug-2018	SP_MECP_III_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-31g(d); sdd	-1038.07588574; Eh
30-Aug-2018	SP_MECP_III_triplet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UBP86	6-31g(d); sdd	-1038.07588453; Eh
30-Aug-2018	nitrophenylazide	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31g(d)	-600.388598025; Eh
30-Aug-2018	H2O2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31g(d)	-151.550686192; Eh
30-Aug-2018	O2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UBP86	6-31g(d)	-150.327271826; Eh

Results 13261-13270 of 104583 (Search time: 0.01 seconds).