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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 mNO2-mOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1808.2538736; Eh
	23-Sep-2022	/OATS/large_basis_sets mCN-pNMe2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1754.7150189; Eh
	23-Sep-2022	/OATS/large_basis_sets mOH-mNMe2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1737.6901685; Eh
	23-Sep-2022	/pOMePh_Bpin/pNO2_PhI Cu_Phen_pOMePhpNO2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1562.93504350; Eh
	23-Sep-2022	/OATS/large_basis_sets mmCF3-pNO2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2407.3179984; Eh
	23-Sep-2022	/pOMePh_Bpin/pNO2_PhI pOMePh-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-782.357343202; Eh
	23-Sep-2022	/OATS/large_basis_sets mF-pOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1742.2564083; Eh
	23-Sep-2022	/OATS/large_basis_sets mOMe-mCOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1795.6885593; Eh
	23-Sep-2022	/OATS/large_basis_sets mF-pCl	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2087.3209626; Eh
	23-Sep-2022	/pOMePh_Bpin/pNO2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1562.78725421; Eh

Results 24001-24010 of 101821 (Search time: 0.015 seconds).