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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Feb-2020	XXII_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-2907.3266816; Eh
22-Feb-2020	TSXVI_XV_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.2121651; Eh
22-Feb-2020	TSVII_IX	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.29680744; Eh
22-Feb-2020	TSVII_IX_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.1961144; Eh
22-Feb-2020	TSXVI_XV	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
22-Feb-2020	VII_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.1993211; Eh
27-Jun-2023	SP_tsZ-A4b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1671.2132241; Eh
27-Jun-2023	tsF2rot	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1819.02101867; Eh
22-Feb-2020	mesitylene	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-350.235781599; Eh
22-Feb-2020	TSXIV_XV_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.2129607; Eh

Results 17671-17680 of 104512 (Search time: 0.012 seconds).