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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI/large_basis_sets Cu_Phen_pNMe2Ph-pOMePh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1777.1380904; Eh
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI/large_basis_sets Cu_Phen_pNMe2Ph_pOMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1777.0312281; Eh
	23-Sep-2022	/pNMe2_Bpin/PhI/large_basis_sets Cu_Phen_pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1134.9253168; Eh
	23-Sep-2022	/pOMePh_Bpin/PhI/large_basis_sets TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1469.5003112; Eh
	23-Sep-2022	/pOMePh_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1642.9821044; Eh
	23-Sep-2022	/pOMePh_Bpin/PhI/large_basis_sets pOMePh-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-578.0134339; Eh
	7-Jun-2024	/Benchmark_adcluster_sites 5-6A-on100-fixed-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pNO2PhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G* GEN*	-1867.15363676; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI Cu_Phen_pNO2Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1582.28224326; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI/large_basis_sets pNO2Ph-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G* GEN*	-802.041349506; Eh

Results 24521-24530 of 100263 (Search time: 0.015 seconds).