Pure and Applied Chemistry

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• Nakamura Toru, Yamaji Takayuki, Takayama Kozo: Effects of packaging and heat transfer kinetics on drug-product stability during storage under uncontrolled temperature conditions. J. Pharm. Sci. 2013, 102, 1495. <http://dx.doi.org/10.1002/jps.23486>
• González-Hernández J. L., Canedo M. Mar, Encinar Sonsoles: Combining artificial neural networks and experimental design to prediction of kinetic rate constants. J Math Chem 2013, 51, 1634. <http://dx.doi.org/10.1007/s10910-013-0170-7>
• Canedo Alonso M.M., González-Hernández J.L., Encinar del Dedo S.: Application the computational method KINMODEL(AGDC) to the simultaneous determination of kinetic and analytical parameters. Applied Mathematics and Computation 2013, 219, 7089. <http://dx.doi.org/10.1016/j.amc.2013.01.029>
• Martínez C., Vilariño S., Fernández M.I., Faria J., L. M. Canle, Santaballa J.A.: Mechanism of degradation of ketoprofen by heterogeneous photocatalysis in aqueous solution. Applied Catalysis B: Environmental 2013, 142-143, 633. <http://dx.doi.org/10.1016/j.apcatb.2013.05.018>
• Silva Valter H.C., Aquilanti Vincenzo, de Oliveira Heibbe C.B., Mundim Kleber C.: Uniform description of non-Arrhenius temperature dependence of reaction rates, and a heuristic criterion for quantum tunneling vs classical non-extensive distribution. Chemical Physics Letters 2013, 590, 201. <http://dx.doi.org/10.1016/j.cplett.2013.10.051>
• Martins Weliton S., Passerat de Silans Thierry, Oriá Marcos, Chevrollier Martine: Laser-induced atomic adsorption: A mechanism for nanofilm formation. EPL 2013, 104, 33001. <http://dx.doi.org/10.1209/0295-5075/104/33001>
• Kozuch Sebastian: A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles. WIREs Comput Mol Sci 2012, 2, 795. <http://dx.doi.org/10.1002/wcms.1100>
• Aquilanti V., Mundim K.C., Cavalli S., De Fazio D., Aguilar A., Lucas J.M.: Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature. Chemical Physics 2012, 398, 186. <http://dx.doi.org/10.1016/j.chemphys.2011.05.016>
• Kravchenko-Balasha N., Levitzki A., Goldstein A., Rotter V., Gross A., Remacle F., Levine R. D.: On a fundamental structure of gene networks in living cells. Proceedings of the National Academy of Sciences 2012, 109, 4702. <http://dx.doi.org/10.1073/pnas.1200790109>
• Kozuch Sebastian, Martin Jan M. L.: The Rate-Determining Step is Dead. Long Live the Rate-Determining State!. Chem Eur J of Chem Phys 2011, 12, 1413. <http://dx.doi.org/10.1002/cphc.201100137>
• Canedo M. M., González-Hernández J. L.: KINMODEL (AGDC): a multipurpose computational method for kinetic treatment. J Math Chem 2011, 49, 163. <http://dx.doi.org/10.1007/s10910-010-9733-z>
• Martínez C., Canle L. M., Fernández M.I., Santaballa J.A., Faria J.: Kinetics and mechanism of aqueous degradation of carbamazepine by heterogeneous photocatalysis using nanocrystalline TiO2, ZnO and multi-walled carbon nanotubes–anatase composites. APPLIED CATALYSIS B 2011, 102, 563. <http://dx.doi.org/10.1016/j.apcatb.2010.12.039>
• Martínez C., Canle L. M., Fernández M.I., Santaballa J.A., Faria J.: Aqueous degradation of diclofenac by heterogeneous photocatalysis using nanostructured materials. Catal B Environ 2011, 107, 110. <http://dx.doi.org/10.1016/j.apcatb.2011.07.003>
• De Paula Rodrigo, Simões Mário M.Q., Neves M. Graça P.M.S., Cavaleiro José A.S.: Oxidation of styrene and of some derivatives with H2O2 catalyzed by novel imidazolium-containing manganese porphyrins: A mechanistic and thermodynamic interpretation. J Mol Cata A Chem 2011, 345, 1. <http://dx.doi.org/10.1016/j.molcata.2011.05.013>
• Ferguson Andrew J., Kopidakis Nikos, Shaheen Sean E., Rumbles Garry: Dark Carriers, Trapping, and Activation Control of Carrier Recombination in Neat P3HT and P3HT:PCBM Blends. J. Phys. Chem. C 2011, 115, 23134. <http://dx.doi.org/10.1021/jp208014v>
• Barnard Amanda S., Chen Yu: Kinetic modelling of the shape-dependent evolution of faceted gold nanoparticles. J Materials Chemistry 2011, 21, 12239. <http://dx.doi.org/10.1039/c1jm11677k>
• Lente Gábor: The connection between the second law of thermodynamics and the principle of microscopic reversibility. J Math Chem 2010, 47, 1106. <http://dx.doi.org/10.1007/s10910-009-9634-1>
• Meija Juris, Ouerdane Laurent, Mester Zoltán: Describing chemical transformations in multiple spiking isotope dilution: fundamental aspects and definitions. Analyst 2009, 134, 466. <http://dx.doi.org/10.1039/b814388a>
• Popovici Mihaela, Delabie Annelies, Van Elshocht Sven, Clima Sergiu, Pourtois Geoffrey, Nyns Laura, Tomida Kazuyuki, Menou Nicolas, Opsomer Karl, Swerts Johan: Growth and Material Characterization of Hafnium Titanates Deposited by Atomic Layer Deposition. J Electrochem Soc 2009, 156, G145. <http://dx.doi.org/10.1149/1.3186020>
• Queralt Joaquim J, Andrés Juan, L Moisés Canle, Hermógenes Cobas J, Santaballa Juan A, Sambrano Julio R: A joint theoretical and kinetic investigation on the fragmentation of (N-halo)-2-amino cycloalkanecarboxylates. Chemical Phys 2002, 280, 1. <http://dx.doi.org/10.1016/S0301-0104(02)00487-1>
• Volynsky Anatoly B.: Investigation of the mechanisms of the action of chemical modifiers for electrothermal atomic absorption spectrometry: what for and how?. ATOM SPECTROSC 1998, 53, 139. <http://dx.doi.org/10.1016/S0584-8547(97)00124-9>