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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 mCl-ptBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1860.62330702; Eh
	23-Sep-2022	/OATS mCN-mNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1391.36538384; Eh
	23-Sep-2022	/OATS/large_basis_sets pNO2-ptBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1890.3143531; Eh
	23-Sep-2022	/OATS/large_basis_sets pNO2-pOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1847.5623176; Eh
	23-Sep-2022	/OATS/large_basis_sets pNO2-pOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1808.2526995; Eh
	23-Sep-2022	/OATS/large_basis_sets pOH-mNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1659.0576542; Eh
	23-Sep-2022	/OATS/large_basis_sets pMe-pCOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1720.457588; Eh
	23-Sep-2022	/OATS/large_basis_sets pMe-pNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1623.1336023; Eh
	23-Sep-2022	/OATS/large_basis_sets pMe-pCl	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2027.3773039; Eh
	23-Sep-2022	/OATS/large_basis_sets pMe-pF	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1667.0191573; Eh

Results 23891-23900 of 101944 (Search time: 0.015 seconds).