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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-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 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 mNH2-pH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1583.8036007; 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 mNO2-mCF3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2070.1558182; Eh
	23-Sep-2022	/OATS/large_basis_sets pCl-pCF3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2325.20692; Eh
	23-Sep-2022	/OATS/large_basis_sets mNMe2-pMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1701.7656258; Eh
	23-Sep-2022	/OATS/large_basis_sets mCN-mNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1676.0843717; Eh
	23-Sep-2022	/OATS/large_basis_sets mNO2-mNO2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1937.5732802; Eh

Results 23981-23990 of 101821 (Search time: 0.015 seconds).