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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Dec-2021	ch3cooch3-cf3-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-606.290820161; Eh
	27-Jun-2022	pd3-aco2-gly4	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2586.770069; Eh
	27-Jun-2022	I4p	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1445.981668; Eh
	27-Jun-2022	pd3-aco4-gly2	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2170.5596896; Eh
	27-Jun-2022	pd3-aco3-gly3	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2378.6648969; Eh
	9-Dec-2021	ch3cooch3-oh-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-344.417653339; Eh
	26-Feb-2024	ch3ph2-h2o-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-311+G(D)	-458.672926902; Eh
	26-Feb-2024	ch3ph2_ch3_aupme3ch3	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G SDD GENECP*	-1019.35534029; Eh
	9-Dec-2021	ch3cooch3-sch2ch3-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-746.040593298; Eh
	9-Dec-2021	ch3cooch3-seh-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2670.74352093; Eh

Results 10481-10490 of 12842 (Search time: 0.008 seconds).