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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	/OATS/large_basis_sets mNO2-mNO2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1937.5732802; Eh
	23-Sep-2022	/OATS/large_basis_sets pCl-pH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1988.0498359; Eh
	23-Sep-2022	/OATS/large_basis_sets mCN-mtBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1778.0148521; Eh
	26-Dec-2022	/NLE Cu1_homocoupled	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2343.11154188; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNO2_PhI/large_basis_sets pNO2Ph-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-872.5940405; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNO2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1937.5796845; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI Cu_Phen_pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1205.20621007; Eh

Results 29071-29080 of 103542 (Search time: 0.018 seconds).