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chemical binding
24
"Dramatic Electronic Perturbations of Cu A Centers via Subtle Geometric Changes" (2019) Leguto, A.J.;Smith, M.A.;Morgada, M.N. (...)Vila, A.J. Journal of the American Chemical Society. 141(3):1373-1381
"Probiotic characteristics and aflatoxin B1 binding ability of Debaryomyces hansenii and Kazaschtania exigua from rainbow trout environment" (2018) Martínez, M.P.;González Pereyra, M.L.;Fernandez Juri, M.G. (...)Cavaglieri, L. Aquaculture Research. 49(4):1588-1597
"Characterization of prophages containing “evolved” Dit/Tal modules in the genome of Lactobacillus casei BL23" (2016) Dieterle, M.E.;Fina Martin, J.;Durán, R. (...)Piuri, M. Applied Microbiology and Biotechnology. 100(21):9201-9215
"A new P. putida instrumental toxicity bioassay" (2015) Figueredo, F.; Abrevaya, X.C.; Cortón, E. Environmental Monitoring and Assessment. 187(5)
"Exposing the secrets of two well-known Lactobacillus casei phages, J-1 and PL-1, by genomic and structural analysis" (2014) Dieterle, M.E.;Bowman, C.;Batthyany, C. (...)Piuri, M. Applied and Environmental Microbiology. 80(22):7107-7121
"Modelling proton and metal binding to humic substances with the NICA-EPN model" (2014) Montenegro, A.C.; Orsetti, S.; Molina, F.V. Environmental Chemistry. 11(3):318-332
"Pb(II) binding to humic substances: An equilibrium and spectroscopic study" (2013) Orsetti, S.; Marco-Brown, J.L.; Andrade, E.M.; Molina, F.V. Environmental Science and Technology. 47(15):8325-8333
"Investigating arsenic bioavailability and bioaccumulation by the freshwater oligochaete Lumbriculus variegatus" (2011) Nasi, M.; Piol, M.N.; Di Risio, C.; Verrengia Guerrero, N.R. Archives of Environmental Contamination and Toxicology. 61(3):426-434
"Structure/function relationships of several biopolymers as related to invertase stability in dehydrated systems" (2008) Santagapita, P.R.;Brizuela, L.G.;Mazzobre, M.F. (...)Buera, M.P. Biomacromolecules. 9(2):741-747
"Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics" (2006) Sigman, L.; Sánchez, V.M.; Turjanski, A.G. Journal of Molecular Graphics and Modelling. 25(3):345-352
"The catalytic mechanism of peptidylglycine α-hydroxylating monooxygenase investigated by computer simulation" (2006) Crespo, A.;Martí, M.A.;Roitberg, A.E. (...)Estrin, D.A. Journal of the American Chemical Society. 128(39):12817-12828
"Fine tuning of the electronic coupling between metal centers in cyano-bridged mixed-valent trinuclear complexes" (2004) Alborés, P.; Slep, L.D.; Weyhermüller, T.; Baraldo, L.M. Inorganic Chemistry. 43(21):6762-6773
"Microcrystalline cellulose as a carrier for hydrophobic photosensitizers in water" (2002) Zeug, A.;Zimmermann, J.;Röder, B. (...)San Román, E. Photochemical and Photobiological Sciences. 1(3):198-203
"On the capriciousness of the FCCF Karplus curve" (2002) Kurtkaya, S.;Barone, V.;Peralta, J.E. (...)Snyder, J.P. Journal of the American Chemical Society. 124(33):9702-9703
"Through-bond and through-space JFF spin-spin coupling in peridifluoronaphthalenes: Accurate DFT evaluation of the four contributions" (2001) Peralta, J.E.;Barone, V.;Contreras, R.H. (...)Snyder, J.P. Journal of the American Chemical Society. 123(37):9162-9163
"Structure, solvation, and bonding in pentacyano(L) ferrate (II) ions (L=aliphatic amine): A density functional study" (2001) Gonz ález-Lebrero, M.C.; Turjanski, A.G.; Olabe, J.A.; Estrin, D.A. Journal of Molecular Modeling. 7(7):201-206
"The polar bond-polarizable bond interaction in 1-X,2-methoxy naphthalenes. An experimental and theoretical study" (2000) Contreras, R.H.; Taurian, O.E.; Ortiz, F.S.; Peralta, J.E. Journal of Molecular Structure. 556(1-3):263-273
"Kinetics and mechanism of thermal gas-phase oxidation of hexafluoropropene in the presence of trifluoromethylhypofluorite, CF3OF" (2000) Dos Santos Afonso, M.; Romano, R.M.; Della Védova, C.O.; Czarnowski, J. Physical Chemistry Chemical Physics. 2(7):1393-1399
"New insights into the chemistry of lithium carbamoyls: Characterization of an adduct (R2NC(O)CLi(OLi)NR2)" (2000) Nudelman, N.S.; García Liñares, G.E. Journal of Organic Chemistry. 65(6):1629-1635
"Photodelivery of nitric oxide from a nitrosothiol-derivatized surface [3]" (2000) Etchenique, R.; Furman, M.; Olabe, J.A. Journal of the American Chemical Society. 122(16):3967-3968
"Nitric oxide binding to ferric cytochrome P450: A computational study" (2000) Scherlis, D.A.; Cymeryng, C.B.; Estrin, D.A. Inorganic Chemistry. 39(11):2352-2359
"Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants" (1999) Peralta, J.E.; Ruiz De Azúa, M.C.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 491(1-3):23-31