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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 pCF3-pNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1920.9634399; Eh
	23-Sep-2022	/OATS/large_basis_sets pCF3-pMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1904.910812; Eh
	23-Sep-2022	/OATS/large_basis_sets pCF3-pF	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1964.848681; Eh
	23-Sep-2022	/OATS/large_basis_sets mNH2-mOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1659.0578454; Eh
	23-Sep-2022	/OATS/large_basis_sets pCOMe-pNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1736.5100631; Eh
	23-Sep-2022	/OATS/large_basis_sets pCOMe-pH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1681.1274919; Eh
	23-Sep-2022	/OATS/large_basis_sets mNH2-mCN	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1676.077353; Eh
	23-Sep-2022	/OATS/large_basis_sets mCl-ptBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2145.3657104; Eh
	23-Sep-2022	/pOMePh_Bpin/PhI Cu_Phen_pOMePhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1358.42670660; Eh
	23-Sep-2022	/OATS/large_basis_sets mCF3-pNO2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2070.1599552; Eh

Results 30961-30970 of 103542 (Search time: 0.021 seconds).