Works matching DE "CHEMICAL models"
Results: 2891
Application of electrochemical impedance spectroscopy to study hydrogen sulphide corrosion of steel and its inhibition: a review.
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- Corrosion Engineering, Science & Technology, 2019, v. 54, n. 6, p. 493, doi. 10.1080/1478422X.2019.1619979
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Acid‐catalyzed Transformation of Nitrite to Nitric Oxide on Copper(II)−Cobalt(II) Centers in a Bimetallic Complex.
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- Chemistry - A European Journal, 2024, v. 30, n. 53, p. 1, doi. 10.1002/chem.202402295
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The Unimolecular Decomposition Mechanism of Trimethyl Phosphate.
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- Chemistry - A European Journal, 2024, v. 30, n. 49, p. 1, doi. 10.1002/chem.202401750
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Trans‐Concerted Addition to Alkynes: the case of Ynamide Silylzincation.
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- Chemistry - A European Journal, 2024, v. 30, n. 43, p. 1, doi. 10.1002/chem.202401751
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Mechanistic Insights into the Discharge Processes of Li−CO<sub>2</sub> Batteries.
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- Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202400414
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Caffeine Biodegradation by Cytochrome P450 1A2. What Determines the Product Distributions?
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- Chemistry - A European Journal, 2023, v. 29, n. 32, p. 1, doi. 10.1002/chem.202203875
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Unravelling the Origin of Ultra‐Low Conductivity in SrTiO<sub>3</sub> Thin Films: Sr Vacancies and Ti on A‐Sites Cause Fermi Level Pinning.
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- Advanced Functional Materials, 2022, v. 32, n. 38, p. 1, doi. 10.1002/adfm.202202226
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Calcium carbonate deposition on layer-by-layer systems assembled from star polymers.
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- Journal of Polymer Research, 2013, v. 20, n. 6, p. 1, doi. 10.1007/s10965-013-0157-x
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Insights into the coordination chemistry of antineoplastic doxorubicin with 3d-transition metal ions Zn<sup>2+</sup>, Cu<sup>2+</sup>, and VO<sup>2+</sup>: a study using well-calibrated thermodynamic cycles and chemical interaction quantum chemistry models
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- Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 7, p. 279, doi. 10.1007/s10822-023-00506-4
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Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores.
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- Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 1, p. 1, doi. 10.1007/s10822-022-00485-y
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Design of new imidazole derivatives with anti-HCMV activity: QSAR modeling, synthesis and biological testing.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 12, p. 1177, doi. 10.1007/s10822-021-00428-z
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Quantum–mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 4, p. 453, doi. 10.1007/s10822-020-00347-5
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Assessment of uncertainty in chemical models by Bayesian probabilities: Why, when, how?
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- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 7, p. 583, doi. 10.1007/s10822-014-9822-3
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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 6, p. 533, doi. 10.1007/s10822-011-9440-2
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GridMol: a grid application for molecular modeling and visualization.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 2, p. 119, doi. 10.1007/s10822-008-9183-x
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A novel workflow for the inverse QSPR problem using multiobjective optimization.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 5, p. 333, doi. 10.1007/s10822-006-9063-1
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Interactions of peptide mimics of hyaluronic acid with the receptor for hyaluronan mediated motility (RHAMM).
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- Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 10, p. 597, doi. 10.1007/s10822-004-5433-8
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Molecular modelling prediction of ligand binding site flexibility.
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- Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 4, p. 235, doi. 10.1023/B:JCAM.0000046820.08222.83
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Protein fragment reconstruction using various modeling techniques.
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- Journal of Computer-Aided Molecular Design, 2003, v. 17, n. 11, p. 725, doi. 10.1023/B:JCAM.0000017486.83645.a0
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Molecular modelling studies on the ORL1-receptor and ORL1-agonists.
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- Journal of Computer-Aided Molecular Design, 2003, v. 17, n. 11, p. 739, doi. 10.1023/B:JCAM.0000017491.97244.69
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The Construction of Atom Models: Eliminative Inductivism and its Relation to Falsificationism.
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- Foundations of Science, 2000, v. 5, n. 4, p. 491, doi. 10.1023/A:1011315710119
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Stoichiometric Modeling of Artificial String Chemistries Reveals Constraints on Metabolic Network Structure.
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- Journal of Molecular Evolution, 2021, v. 89, n. 7, p. 472, doi. 10.1007/s00239-021-10018-0
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Molecular Evolution of Alternative Oxidase Proteins: A Phylogenetic and Structure Modeling Approach.
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- Journal of Molecular Evolution, 2016, v. 82, n. 4/5, p. 207, doi. 10.1007/s00239-016-9738-8
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Thermo-oxidative aging of natural rubber: experimental study and a thermodynamically consistent mechanical-chemical-diffusion model.
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- Continuum Mechanics & Thermodynamics, 2024, v. 36, n. 6, p. 1579, doi. 10.1007/s00161-024-01317-0
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Modeling and FE simulation of coupled water diffusion and viscoelasticity in relaxation tests of polyamide 6.
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- Continuum Mechanics & Thermodynamics, 2024, v. 36, n. 4, p. 935, doi. 10.1007/s00161-024-01305-4
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Modeling chemical reactions in porous media: a review.
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- Continuum Mechanics & Thermodynamics, 2021, v. 33, n. 6, p. 2279, doi. 10.1007/s00161-021-01049-5
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Effective visco-elastic models of tough, doubly cross-linked, single-network polyvinyl alcohol (PVA) hydrogels: Additively separable fractional derivative-based models for chemical and physical cross-links.
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- Continuum Mechanics & Thermodynamics, 2021, v. 33, n. 6, p. 2315, doi. 10.1007/s00161-020-00874-4
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Integrated Panoramic Multispectral Imaging of Combustion on a Test Rig.
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- Combustion, Explosion, & Shock Waves, 2024, v. 60, n. 4, p. 523, doi. 10.1134/S0010508224040142
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Description of Premixed Turbulent Combustion in a Duct with a Step Using Partially Stirred Reactor Models.
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- Combustion, Explosion, & Shock Waves, 2024, v. 60, n. 4, p. 460, doi. 10.1134/S0010508224040075
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Numerical Simulation of Thermal Choking of a Channel during Combustion of a Hydrogen–Air Mixture in a Supersonic Flow.
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- Combustion, Explosion, & Shock Waves, 2023, v. 59, n. 4, p. 402, doi. 10.1134/S0010508223040020
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Reduced Kinetic Model for Complex Turbulent n-Heptane Flame Simulations.
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- Combustion, Explosion, & Shock Waves, 2021, v. 57, n. 5, p. 521, doi. 10.1134/S0010508221050026
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Comparison of Detailed Chemical Models of Hydrogen Combustion in Numerical Simulations of Detonation.
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- Combustion, Explosion, & Shock Waves, 2021, v. 57, n. 3, p. 270, doi. 10.1134/S0010508221030023
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Kinetic Analysis of the Oxidative Conversion of Methane in Slow Combustion. I. Key Steps of the Chemical Mechanism.
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- Combustion, Explosion, & Shock Waves, 2019, v. 55, n. 5, p. 513, doi. 10.1134/S0010508219050010
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Modeling of an Irregular Cellular Structure of the Detonation Wave in a Two-Fuel Mixture.
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- Combustion, Explosion, & Shock Waves, 2019, v. 55, n. 4, p. 384, doi. 10.1134/S0010508219040026
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Modelling of characteristics of a crater emerged from a surface explosion on the soil.
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- Combustion, Explosion, & Shock Waves, 2015, v. 51, n. 3, p. 395, doi. 10.1134/S001050821503017X
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Kinetics of oxidation and combustion of complex hydrocarbon fuels: Aviation kerosene.
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- Combustion, Explosion, & Shock Waves, 2013, v. 49, n. 4, p. 392, doi. 10.1134/S0010508213040023
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Analysis of unsteady solid-propellant combustion models (review).
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- Combustion, Explosion, & Shock Waves, 2008, v. 44, n. 1, p. 31, doi. 10.1007/s10573-008-0006-0
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Modeling of incomplete combustion of hydrocarbons in the presence of water under high pressure.
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- Combustion, Explosion, & Shock Waves, 2006, v. 42, n. 3, p. 277, doi. 10.1007/s10573-006-0051-5
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Synthetic Transformations of Higher Terpenoids. 45<sup>#</sup>. Regioselective Synthesis of 5-Labdanoid-Substituted Pyrazoles and Assessment of Their Analgesic Activity.
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- Chemistry of Natural Compounds, 2024, v. 60, n. 4, p. 662, doi. 10.1007/s10600-024-04408-1
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Synthesis of 1,2,3-Triazolyl-Substituted Derivatives of the Alkaloids Sinomenine and Tetrahydrothebaine on Ring A and Their Analgesic Activity.
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- Chemistry of Natural Compounds, 2022, v. 58, n. 5, p. 895, doi. 10.1007/s10600-022-03824-5
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Two New Prenylated 2-Arylbenzofurans from Artocarpus nanchuanensis and Their Antirespiratory Burst Activities.
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- Chemistry of Natural Compounds, 2022, v. 58, n. 3, p. 442, doi. 10.1007/s10600-022-03705-x
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Synthetic Transformations of Higher Terpenoids. 40. Synthesis and Assessment of Analgesic Activity of N-Containing Derivatives of Lambertianic Acid.
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- Chemistry of Natural Compounds, 2021, v. 57, n. 5, p. 879, doi. 10.1007/s10600-021-03502-y
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Modeling stress‐affected chemical reactions in composite materials.
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- ZAMM -- Journal of Applied Mathematics & Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik, 2021, v. 101, n. 4, p. 1, doi. 10.1002/zamm.202000281
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Numerical Algorithm for Finding the Optimal Composition of the Reacting Mixture on the Basis of the Reaction Kinetic Model.
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- Theoretical Foundations of Chemical Engineering, 2024, v. 58, n. 3, p. 728, doi. 10.1134/S0040579524601559
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Robustness Analysis of Chemical Coupling Network Based on Asymmetric Dependent Network Model.
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- Theoretical Foundations of Chemical Engineering, 2023, v. 57, n. 6, p. 1512, doi. 10.1134/S0040579523330023
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pH Control of Yeast Fed-Batch Fermentation Process by Improved Input-Output Linearization Method.
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- Theoretical Foundations of Chemical Engineering, 2023, v. 57, n. 6, p. 1403, doi. 10.1134/S0040579523060088
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Simulation Methods to Model Chemical Processes at Elevated Pressures and the Theory of Non-Ideal Reaction Systems.
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- Theoretical Foundations of Chemical Engineering, 2023, v. 57, n. 6, p. 1366, doi. 10.1134/S0040579523060192
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Surrogate Models of Hydrogen Oxidation Kinetics based on Deep Neural Networks.
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- Theoretical Foundations of Chemical Engineering, 2023, v. 57, n. 2, p. 196, doi. 10.1134/S004057952302001X
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Simulation of Sorption Purification of Hydrocarbon Fuel from Sulfur Compounds with Transition-Metal Pivalates.
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- Theoretical Foundations of Chemical Engineering, 2022, v. 56, n. 1, p. 84, doi. 10.1134/S0040579522010067
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The effect of acidity on micellization in dodecyldimethylamine oxide-sodium dodecyl sulfate aqueous mixtures.
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- Colloid Journal, 2009, v. 71, n. 5, p. 717, doi. 10.1134/S1061933X09050202
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