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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Nov-2021	pme3pdhph32-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+G SDD GENECP*	-1275.79731777; Eh
20-Nov-2021	ph3incl2-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+G SDD GENECP*	-1265.26519555; Eh
20-Nov-2021	ph3pdhph32-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+G SDD GENECP*	-1157.80566011; Eh
20-Nov-2021	ph3pdph3-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+G SDD GENECP*	-814.273678073; Eh
20-Nov-2021	ph3b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+G GENECP*	-343.139808378; Eh
30-Sep-2021	/DCM/TS_DCM ch3f-f-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point TS	-	6-311+G(D)	-239.784076289; Eh

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