References
- D. Chopra, T.P. Mohan, K.S. Rao, T.N. Guru, (2E)-1-[(6-
Chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
(imidachloprid), Acta Crystallogr., Sect. E: Struct. Rep. Online,
E60 (2004) o2415–o2417.
- C.A. Morrissey, P. Mineau, J.H. Devries, F. Sanchez-Bayo,
M. Liess, M.C. Cavallaro, K. Liber, Neonicotinoid contamination
of global surface waters and associated risk to aquatic
invertebrates: a review, Environ. Int., 74 (2015) 291–303.
- ASSAf, Neonicotinoid Insecticides: Use and Effects in African
Agriculture. A Review and Recommendations to Policymakers,
Academy of Science of South Africa (ASSAf), 2021. Available
at: http://hdl.handle.net/20.500.11911/178
- P. Bottoni, P. Grenni, L. Lucentini, A. Barra Caracciolo,
Terbuthylazine and other triazines in Italian water resources,
Microchem. J., 107 (2003) 136–142.
- E. Herrero-Hernández, M.S. Andrades, A. Álvarez-Martín,
E. Pose-Juan, M.S. Rodríguez-Cruz, M.J. Sánchez-Martín,
Occurrence of pesticides and some of their degradation
products in waters in a Spanish wine region, J. Hydrol., 486
(2013) 234–245.
- M. Lamers, M. Anyusheva, N.T. La, V.V. Nguyen, T. Streck,
Pesticide pollution in surface- and groundwater by paddy rice
cultivation: a case study from Northern Vietnam, Clean – Soil,
Air, Water, 39 (2011) 356–361.
- A. Székács, M. Mörtl, B. Darvas, Monitoring pesticide residues
in surface and ground water in Hungary: surveys in 1990–2015,
J. Chem., 2015 (2015) 717948, doi: 10.1155/2015/717948.
- A.R. Fernández-Alba, L. Hernando Guil, G. Dı́az López,
Y. Chisti, Toxicity of pesticides in wastewater: a comparative
assessment of rapid bioassays, Anal. Chim. Acta, 426 (2001)
289–301.
- M. Köck-Schulmeyer, M. Villagrasa, M. López de Alda,
R. Céspedes-Sánchez, F. Ventura, D. Barceló, Occurrence and
behavior of pesticides in wastewater treatment plants and
their environmental impact, Sci. Total Environ., 458–460 (2013)
466–476.
- A.F.M. Barton, Solubility parameters, Chem. Rev., 75 (1975)
731–753.
- R.J. Lewis, P. Camilleri, A.J. Kirby, C.A. Marby, A.A. Slawin,
D.J. Williams, Structure–activity studies on amides inhibiting
photosystem II, J. Chem. Soc., Perkin Trans. 2, (1991) 1625–1630.
- A.A.G. Moreira, P.D. Lima-Neto, E.W.S. Caetano, I.L. Barroso-Neto, V.N. Freire, Computational electronic structure of the
bee killer insecticide imidacloprid, New J. Chem., 40 (2016)
10353–10362.
- Y. Zhao, D.G. Truhlar, The M06 suite of density functionals
for main group thermochemistry, thermochemical kinetics,
noncovalent interactions, excited states, and transition
elements: two new functionals and systematic testing of four
M06-class functionals and 12 other functionals, Theor. Chem.
Acc., 120 (2008) 215–241.
- M. Frisch, G. Trucks, H. Schlegel, G. Scuseria, M. Robb,
J. Cheeseman, G. Scalmani, V. Barone, B. Mennuci,
G. Petersson,
H. Nakatsuji, M. Caricato, X. Li, H. Hratchian, A. Izmaylov,
J. Bloino, G. Zheng, J. Sonnenberg,
M. Hada, M. Ehra,
K. Toyota, R. Fukude, J. Hasegawa, M. Ishida, T. Nakajima,
K. Honda, O. Kitao, H. Nakai,
T.J. Vreven, J. Montgomery,
J. Peralta, F. Ogliaro, M. Bearpark, J. Heyd, E. Brothers, K. Kudin,
J. Staroverov,
R. Kobayashi, J. Normand, K. Raghavachari,
A. Rendell, J. Burant, S. Iyengar, J. Tomassi, M. Cossi, N. Rega,
J. Millam, M. Klene, J. Knox, J. Cross, V. Bakken, C. Adamo,
J. Jaramillo, R. Gomperts, O. Yazyev, A. Austin,
R. Cammi,
C. Pomelli, J. Ochterski, R. Martin, K. Morokuma, V. Zakrzewski,
G. Voth, P. Salvador, J. Dannenberg,
S. Dapprich, A. Daniels,
J. Foresman, J. Ortiz, J. Cioslowski, D. Fox, Gaussian 09,
Gaussian Inc., Walligford, 2009.
- V. Barone, M. Cossi, Quantum calculation of molecular
energies and energy gradients in solution by a conductor
solvent model, J. Phys. Chem. A, 102 (1998) 1995–2001.
- M. Cossi, N. Rega, G. Scalmani, V. Barone, Energies, structures,
and electronic properties of molecules in solution with the
C-PCM solvation model, J. Comput. Chem., 24 (2003) 669–681.
- E.D. Glendening, Extension of Lewis Structure Concepts to
Open-Shell and Excited-State Molecular Species, University of
Wisconsin, 1987.
- E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO,
Version 3.1, Gaussian, (n.d.).
- N. Benbrahim, A. Rahmouni, M.F. Ruiz-López, A theoretical
study of medium effects on the structure of the glycine
analogue aminomethylphosphonic acid, Phys. Chem. Chem.
Phys., 10 (2008) 5624–5632.
- R.G. Parr, L.v. Szentpály, S. Liu, Electrophilicity index, J. Am.
Chem. Soc., 121 (1999) 1922–1924.
- R.G. Parr, R.G. Pearson, Absolute hardness: companion
parameter to absolute electronegativity, J. Am. Chem. Soc.,
105 (1983) 7512–7516.
- R.G. Pearson, Absolute electronegativity and hardness: application
to inorganic chemistry, Inorg. Chem., 27 (1988) 734–740.
- E. García-Hernández, R. Flores-Moreno, Á. Vázquez-Mayagoitia, R. Vargas, J. Garza, Initial stage of the degradation
of three common neonicotinoids: theoretical prediction of
charge transfer sites, New J. Chem., 41 (2017) 965–974.
- S.M. Soliman, DFT study on the reactivity of mono-substituted
pyridine ligands, Comput. Theor. Chem., 994 (2012) 105–111.