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Query: MODELING Language: Inglés Subject: Química

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Title: Improved QSAR modeling of anti-HIV-1 acivities by means of the optimized correlation weights of local graph invariants
Author: Marino, Damián José Gabriel / Castro, Eduardo Alberto / Toropov, Andrey
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Química / Anti-HIV-1 activity / Correlation weight of local graph invariants / Flexible topological descriptors / QSAR Modeling

Acceder
Title: QSPR modeling aqueous solubility of polychlorinated biphenyls by optimization of correlation weights of local and global graph invariants
Author: Castro, Eduardo Alberto / Toropov, Andrey A. / Nesterova, Alexandra I. / Nabiev, Ozad M.
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Química / Aqueous solubility / Graph invariants / Polychlorinated biphenyls / QSPR modeling / Topological descriptors

Acceder
Title: Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
Author: Gagliardi, Leonardo Gabriel / Castells, Cecilia Beatriz Marta / Ràfols, Clara / Rosés, Martí / Bosch, Elisabeth
Language: Inglés
Repository: 37
Subject: Química

AccederAcceder
Title: Maximum topological distances based indices as molecular descriptors for QSPR : 4. Modeling the enthalpy of formation of hydrocarbons from elements
Author: Mercader, Andrew Gustavo / Castro, Eduardo Alberto / Toropov, Andrey A.
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Química / detour matrix / enthalpy of formation / hydrocarbons / QSPR theory / topological indices

AccederAcceder
Title: Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
Author: Cobos, Carlos Jorge / Hintzer, K. / Sölter, L. / Tellbach, E. / Thaler, A. / Troe, J.
Language: Inglés
Repository: 37
Subject: Química / Octafluorocyclobutane / Kinetics

Acceder
Title: Rapid prototyping of a complex model for the manufacture of plaster molds for slip casting ceramic / Prototipagem rápida de um modelo complexo para fabricação de moldes de gesso para barbotina cerâmica
Author: Velazco, Diego Pablo Cristian / Sancet, E. F. / Urbaneja, Federico Gaston / Piccico, M. / Serra, María Florencia / Acebedo, Florencia / Suárez, Gustavo / Rendtorff Birrer, Nicolás Maximiliano
Language: Inglés
Repository: 37
Subject: Ingeniería en Materiales / Química / Digital modeling / 3d printing / Traditional ceramics

AccederAcceder
Title: Experimental and theoretical investigation of the enantioselective hydrogenation of ethyl pyruvate with a Pt catalyst with new non-cinchona chiral modifiers
Author: Ruggera, José Fernando / Merlo, Andrea Beatriz / Pis Diez, Reinaldo / Casella, Mónica Laura
Language: Inglés
Repository: 37
Subject: Química / Enantioselectivity / Ethyl pyruvate / Non-cinchona modifiers / Dft / Platinum

AccederAcceder
Title: Humic-like substances from urban waste as auxiliaries for photo-Fenton treatment: a fluorescence EEM-PARAFAC study
Author: Ballesteros, S. García / Costante, Mariana Rosana / Vicente, R. / Mora, M. / Amat, A. M. / Arques, Antonio / Carlos, Luciano / García Einschlag, Fernando Sebastián
Language: Inglés
Repository: 37
Subject: Química / Humic substances / Fenton and photo-fenton / PARAFAC

Acceder
Title: Implications of storage and handling conditions on glass transition and potential devitrification of oocytes and embryos
Author: Sansinena, Marina Julia / Santos, María Victoria / Taminelli, Guillermo Luis / Zaritzky, Noemí Elisabet
Language: Inglés
Repository: 37
Subject: Química / Devitrification / Embryo / Glass transition / Liquid nitrogen / Vitrification

AccederAcceder
Title: Experimental determination of surface heat transfer coefficient in a dry ice-ethanol cooling bath using a numerical approach
Author: Santos, María Victoria / Sansinena, M. / Zaritzky, Noemí Elisabet / Chirife, J.
Language: Inglés
Repository: 37
Subject: Química / Heat transfer coefficient / Dry ice-ethanol cooling bath / Unsteady state heat conduction

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