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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Feb-2022	/model_system TS-EFoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2638.5068061; Eh
	15-Feb-2022	/model_system TS-KAlact	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2483.3770997; Eh
	15-Feb-2022	/model_system Klact	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2483.3871167; Eh
	15-Feb-2022	/model_system Foct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2638.5059769; Eh
	15-Feb-2022	/model_system TS-FGoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	CC-PVTZ	-2638.49542302; Eh
	9-Dec-2021	ch3nh3-OTf-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1058.11361675; Eh
	9-Dec-2021	ch3nh3-oTs-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-991.424128811; Eh
	27-Jun-2022	pd2-aco-gly3	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1793.8508673; Eh
	9-Dec-2021	ch3cooch3-cn-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-361.432577414; Eh
	9-Dec-2021	ch3cooch3-cooch3-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-497.154573425; Eh

Results 10581-10590 of 12842 (Search time: 0.008 seconds).