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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/BP86/Nb Nb08O25-4H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	23-Sep-2022	/R_PhI/large_basis_sets mNMe2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-661.540116; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mNO2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-732.0936704; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mmOMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-756.6494711; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mNH2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-582.908806; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mtBu-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-684.8375607; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mOH-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-602.7773576; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mOMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-642.0869612; Eh
	23-Sep-2022	/R_PhI/large_basis_sets oMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-566.8555179; Eh
	4-Sep-2023	bp86SP_Q1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1140.1956615; Eh

Results 24901-24910 of 100175 (Search time: 0.017 seconds).