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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-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 pCOMe-pCN	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1773.4044206; Eh
	23-Sep-2022	/OATS/large_basis_sets pMe-mCl	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2027.3779643; Eh
	23-Sep-2022	/OATS/large_basis_sets pCN-ptBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1778.0138315; 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 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/pNO2_PhI/large_basis_sets pOMePh-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-782.5869414; Eh
	23-Sep-2022	/OATS/large_basis_sets pCF3-pOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1940.8323599; Eh
	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 pCl-mNMe2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2122.0658059; Eh

Results 23971-23980 of 101821 (Search time: 0.015 seconds).