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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-May-2020	6MCC-Int1_(and_TBD-H(+))	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1397.14615689; Eh
7-Jul-2020	HI2cs	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-9867.48827269; Eh
7-Jul-2020	HI1bt	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-9867.38206371; Eh
7-Jul-2020	HI1s	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-9867.37076181; Eh
7-Jul-2020	HMECP0bs	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G SDD GENECP*	-9867.36559398; Eh
7-Jul-2020	I8s	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-10894.2761835; Eh
7-Jul-2020	HTS1c	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-9867.36990472; Eh
7-Jul-2020	HTS1a	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-9867.36746667; Eh
7-Jul-2020	I7s_a	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G SDD*	-10894.2360422; Eh
7-Jul-2020	HI2at	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-9867.39741685; Eh

Results 33441-33450 of 104515 (Search time: 0.023 seconds).