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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Jun-2023	tsF2rot	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1819.02101867; Eh
27-Jun-2023	tsE-A2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1670.84179832; Eh
22-Feb-2020	mesitylene	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-350.235781599; Eh
2-May-2019	cat9_TS4antireB_sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB97D	-	-2601.6665981; Eh
2-May-2019	cat9_TS4antireA_sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB97D	-	-2601.6639433; Eh
2-May-2019	cat9_TS4antireB	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-2601.48746361; Eh
2-May-2019	cat9_TS4antireA	Besora, Maria	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-2601.48692006; Eh
22-Feb-2020	TSXIV_XV_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.2129607; Eh
22-Feb-2020	cis_5_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-582.5945572; Eh
22-Feb-2020	XII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.31872353; Eh

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