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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-Nov-2018	/water/complexes aq-nhchgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-402.7432554; Eh
9-Nov-2018	/vacuum/complexes ofenorush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1920.22325173; Eh
14-Jul-2015	P2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-119.054144216; Eh
24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-768.28645419; Eh
24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-631.97010371; Eh
14-Jul-2015	radicalP2_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-118.371394364; Eh
14-Jul-2015	radicalP6_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-157.656817652; Eh
14-Jul-2015	radicalP2_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-118.364183135; Eh
14-Jul-2015	P3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-158.338597487; Eh
14-Jul-2015	P6	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-158.340627138; Eh

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