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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/OATS/large_basis_sets pNMe2-mtBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1819.7469726; Eh
	23-Sep-2022	/OATS mCF3-pNO2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1785.30424555; Eh
	23-Sep-2022	/OATS mCF3-pNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1636.15658637; Eh
	23-Sep-2022	/OATS mCl-mCF3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-2040.39338608; Eh
	23-Sep-2022	/OATS mCl-ptBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1860.62330702; Eh
	23-Sep-2022	/OATS mCl-pF	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1802.58482570; Eh
	23-Sep-2022	/OATS mCl-mH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1703.35338842; Eh
	26-Feb-2024	ch3oTf-o-ts_6311+Gd8	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-1076.86395666; Eh
	23-Sep-2022	/OATS/large_basis_sets mOMe-pF	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1742.2527789; Eh
	23-Sep-2022	/OATS/large_basis_sets pF-pCOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1780.3961358; Eh

Results 27231-27240 of 103529 (Search time: 0.016 seconds).