Correction to: Determination of trace metal concentration in compost, DAP, and TSP fertilizers by neutron activation analysis (NAA) and insights from density functional theory calculations

Environmental Monitoring and Assessment, Dec 2017

The original version of this article unfortunately contained an error in the body text and in Tables 4 and 6. The corrected version of the sentences and Tables are given below.

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Correction to: Determination of trace metal concentration in compost, DAP, and TSP fertilizers by neutron activation analysis (NAA) and insights from density functional theory calculations

Environ Monit Assess Correction to: Determination of trace metal concentration in compost, DAP, and TSP fertilizers by neutron activation analysis (NAA) and insights from density functional theory calculations Md Sajjadur Rahman 0 1 2 Syed Mohammod Hossain 0 1 2 Mir Tamzid Rahman 0 1 2 Mohammad A. Halim 0 1 2 Mohammad Niaz Ishtiak 0 1 2 Mahbub Kabir 0 1 2 0 M. T. Rahman ( 1 S. M. Hossain Reactor and Neutron Physics Division, INST, Atomic Energy Research Establishment , Savar, GPO Box-3787, Dhaka 1000 , Bangladesh 2 M. S. Rahman Department of Chemistry and Biochemistry, South Dakota State University , Brookings, SD 57007 , USA Page 9, under Interaction and binding of Cr, Sb, and As with DAP section, second paragraph, lines 3-6 should be rewritten as: As predicted, the binding energy, enthalpy, and the Gibbs free energy of CrO3-DAP is −87.46, − 88.06, and −37.17 kcal/mol; Page 10, under Interaction and binding of Cr, Sb, and As with DAP section, last paragraph, lines 16-18 should be rewritten as: Compared to DAP, the HOMO and LUMO energies of the CrO3-DAP, Sb2O3-DAP, and AsO3-DAP complexes are significantly changed. - The original version of this article unfortunately contained an error in the body text and in Tables 4 and 6. The corrected version of the sentences and Tables are given below. Table 6 Energies (eV) of HOMO, LUMO orbitals, and HOMO–LUMO gaps are calculated at the B3LYP/SDD level of theory for all complexes Molecular orbitals CrO3DAP −0.41 −0.72 −1.82 −9.48 −9.55 −9.85 7.66 Sb2O3DAP AsO3DAP −0.90 −1.72 −4.07 −9.53 −9.62 −10.00 5.46 (...truncated)


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Md Sajjadur Rahman, Syed Mohammod Hossain, Mir Tamzid Rahman, Mohammad A. Halim, Mohammad Niaz Ishtiak, Mahbub Kabir. Correction to: Determination of trace metal concentration in compost, DAP, and TSP fertilizers by neutron activation analysis (NAA) and insights from density functional theory calculations, Environmental Monitoring and Assessment, 2018, pp. 27, Volume 190, Issue 1, DOI: 10.1007/s10661-017-6385-5