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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-pCl	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2325.206849; Eh
	23-Sep-2022	/OATS/large_basis_sets pCF3-mmMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1944.242808; Eh
	23-Sep-2022	/OATS/large_basis_sets mmOMe-pH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1757.5467976; Eh
	23-Sep-2022	/OATS/large_basis_sets pCN-pNMe2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1754.7148978; Eh
	23-Sep-2022	/OATS/large_basis_sets pCN-pOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1735.2619067; Eh
	23-Sep-2022	/OATS/large_basis_sets pH-pOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1603.6729679; Eh
	23-Sep-2022	/OATS/large_basis_sets pH-pMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1567.7512278; Eh
	23-Sep-2022	/pOMePh_Bpin/pNO2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1847.5612364; Eh
	23-Sep-2022	/OATS/large_basis_sets pCF3-pCOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2018.2871708; Eh
	23-Sep-2022	/OATS/large_basis_sets pCOMe-mNO2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1885.700385; Eh

Results 23961-23970 of 101944 (Search time: 0.017 seconds).