Works matching Chemical models
Results: 5000
Complex formation in the Fe(II)-Fe(III)-acrylamide–water system and chemical models.
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- Journal of Coordination Chemistry, 2020, v. 73, n. 7, p. 1077, doi. 10.1080/00958972.2020.1766682
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Advancing Adverse Drug Reaction Prediction with Deep Chemical Language Model for Drug Safety Evaluation.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 8, p. 4516, doi. 10.3390/ijms25084516
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Biomolecules Responsible for the Total Antioxidant Capacity (TAC) of Human Plasma in Healthy and Cardiopathic Individuals: A Chemical Speciation Model.
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- Antioxidants, 2021, v. 10, n. 5, p. 656, doi. 10.3390/antiox10050656
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Solution of chemical reaction model using Haar wavelet method with Caputo derivative.
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- Journal of Mathematical Chemistry, 2024, v. 62, n. 9, p. 2222, doi. 10.1007/s10910-024-01654-0
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Evaluation of Thermodynamic and Chemical Kinetic Models for Hypersonic and High-Temperature Flow Simulation.
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- Applied Sciences (2076-3417), 2023, v. 13, n. 17, p. 9991, doi. 10.3390/app13179991
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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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Inclusion of Electron Interactions by Rate Equations in Chemical Models.
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- Atoms (2218-2004), 2022, v. 10, n. 2, p. 62, doi. 10.3390/atoms10020062
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Solving the Chemical Reaction Models with the Upadhyaya Transform.
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- Oriental Journal of Chemistry, 2024, v. 40, n. 3, p. 767, doi. 10.13005/ojc/400318
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Modeling Surface Air Pollution with Reduced Emissions during the COVID-19 Pandemic Using CHIMERE and COSMO-ART Chemical Transport Models.
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- Russian Meteorology & Hydrology, 2022, v. 47, n. 3, p. 174, doi. 10.3103/S1068373922030025
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Biocompatibility and Transplantation Efficacy of the C-Clear Artificial Cornea in a Rabbit Chemical Burn Model.
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- Bioengineering (Basel), 2023, v. 10, n. 10, p. 1235, doi. 10.3390/bioengineering10101235
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Air Pollution in Moscow Megacity: Data Fusion of the Chemical Transport Model and Observational Network.
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- Atmosphere, 2021, v. 12, n. 3, p. 374, doi. 10.3390/atmos12030374
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Quantum Chemical GA-MLR, Cluster Model, and Conceptual DFT Descriptors Studies on the Binding Interaction of Estrogen Receptor Alpha with Endocrine Disrupting Chemicals.
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- Crystals (2073-4352), 2023, v. 13, n. 2, p. 228, doi. 10.3390/cryst13020228
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Computational Studies on the Interaction of Organophosphorus Pesticides with Acetylcholinesterase and Butyrylcholinesterase: Quantum Chemical Cluster Model and HSAB Approaches.
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- Crystals (2073-4352), 2023, v. 13, n. 1, p. 153, doi. 10.3390/cryst13010153
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Inhibitory Effects of Some Hydrocolloids on the Formation of Advanced Glycation End Products and Heterocyclic Amines in Chemical Models and Grilled Beef Patties.
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- Polymers (20734360), 2023, v. 15, n. 19, p. 3914, doi. 10.3390/polym15193914
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A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: Mixed basis set and ONIOM methods combined with a complete basis set extrapolation.
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- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 825, doi. 10.1002/jcc.20388
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Effect of Different Amino Acids and Heating Conditions on the Formation of 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) and Its Kinetics Formation Using Chemical Model System.
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- Molecules, 2019, v. 24, n. 21, p. 3828, doi. 10.3390/molecules24213828
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Codimension-2 bifurcations on the curve of the Neimark–Sacker bifurcation for a discrete-time chemical model.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 5, p. 1063, doi. 10.1007/s10910-023-01449-9
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A Comparative Study of the Fractional-Order Clock Chemical Model.
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- Mathematics (2227-7390), 2020, v. 8, n. 9, p. 1436, doi. 10.3390/math8091436
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Development of a New Evaporation Exposure Model: Chemical Product Evaporation Model (CPEM).
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- Applied Sciences (2076-3417), 2022, v. 12, n. 6, p. 3112, doi. 10.3390/app12063112
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Discrimination and investigation of inhibitory patterns of flavonoids and phenolic acids on heterocyclic amine formation in chemical model systems by UPLC-MS profiling and chemometrics.
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- European Food Research & Technology, 2016, v. 242, n. 3, p. 313, doi. 10.1007/s00217-015-2541-8
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Estimation of Satellite-Based SO<sub>4</sub>²<sup>--</sup> and NH<sub>4</sub><sup>+</sup> Composition of Ambient Fine Particulate Matter over China Using Chemical Transport Model.
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- Remote Sensing, 2017, v. 9, n. 8, p. 817, doi. 10.3390/rs9080817
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PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models.
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- Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00866-5
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A HYBRID APPROACH FOR SYNCHRONIZING BETWEEN TWO REACTION–DIFFUSION SYSTEMS OF INTEGER- AND FRACTIONAL-ORDER APPLIED ON CERTAIN CHEMICAL MODELS.
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- Fractals, 2022, v. 30, n. 5, p. 1, doi. 10.1142/S0218348X22401454
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A comparative study of two chemical models for creating subsurface caries lesions on aprismatic and prismatic enamel.
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- Journal of Oral Science, 2023, v. 65, n. 1, p. 20, doi. 10.2334/josnusd.22-0311
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Spatio-Temporal Variations of Atmospheric NH3 over East Asia by Comparison of Chemical Transport Model Results, Satellite Retrievals and Surface Observations.
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- Atmosphere, 2020, v. 11, n. 9, p. 900, doi. 10.3390/atmos11090900
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Vapor–liquid and chemical equilibria model for formaldehyde–trioxane–sulfuric acid–water mixtures.
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- Journal of Chemical Technology & Biotechnology, 2020, v. 95, n. 3, p. 719, doi. 10.1002/jctb.6254
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Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions.
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- Molecules, 2022, v. 27, n. 3, p. 1080, doi. 10.3390/molecules27031080
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COMPUTATIONAL MODEL OF A FRACTIONAL-ORDER CHEMICAL REACTOR SYSTEM AND ITS CONTROL USING ADAPTIVE SLIDING MODE CONTROL.
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- Fractals, 2022, v. 30, n. 10, p. 1, doi. 10.1142/S0218348X22402435
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基于机器学习算法的化学品肝毒性筛查模型.
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- Asian Journals of Ecotoxicology, 2023, v. 18, n. 3, p. 22, doi. 10.7524/AJE.1673-5897.20230406002
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A Nonlinear Structure of a Chemical Reaction Model and Numerical Modeling with the New Aspect of Existence and Uniqueness.
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- Mathematics (2227-7390), 2023, v. 11, n. 1, p. 37, doi. 10.3390/math11010037
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A RELEASE MODEL CONSIDERING CHEMICAL LOSS FROM A DOUBLE-LAYER MATERIAL INTO FOOD.
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- Thermal Science, 2020, v. 24, n. 4, p. 2419, doi. 10.2298/TSCI2004419H
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Operational, regional-scale, chemical weather forecasting models in Europe.
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- Atmospheric Chemistry & Physics Discussions, 2011, v. 11, n. 2, p. 5985, doi. 10.5194/acpd-11-5985-2011
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New trajectory driven aerosol and chemical process model: chemical and aerosol Lagrangian model (CALM).
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- Atmospheric Chemistry & Physics Discussions, 2010, v. 10, n. 6, p. 15197, doi. 10.5194/acpd-10-15197-2010
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Investigating Zonal Asymmetries in Stratospheric Ozone Trends From Satellite Limb Observations and a Chemical Transport Model.
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- Journal of Geophysical Research. Atmospheres, 2024, v. 129, n. 8, p. 1, doi. 10.1029/2023JD040353
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Efficient ensemble generation for uncertain correlated parameters in atmospheric chemical models.
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- Geoscientific Model Development Discussions, 2021, p. 1, doi. 10.5194/gmd-2021-26
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Grid-independent High Resolution Dust Emissions (v1.0) for Chemical Transport Models: Application to GEOS-Chem (version 12.5.0).
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- Geoscientific Model Development Discussions, 2020, p. 1, doi. 10.5194/gmd-2020-380
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VOCs in indoor environments: insights from a detailed chemical model.
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- Geophysical Research Abstracts, 2019, v. 21, p. 1
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Leveraging complementary computational models for prioritizing chemicals of developmental and reproductive toxicity concern: an example of food contact materials.
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- Archives of Toxicology, 2020, v. 94, n. 2, p. 485, doi. 10.1007/s00204-019-02641-0
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Basic chemical models of nonideal atomic plasma.
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- High Temperature, 2004, v. 42, n. 6, p. 842, doi. 10.1007/s10740-005-0026-3
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Computational models of chemical systems inspired by Braess' paradox.
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- Journal of Mathematical Chemistry, 2011, v. 49, n. 2, p. 356, doi. 10.1007/s10910-010-9746-7
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Methods and Validation Techniques of Chemical Kinetics Models in Waste Thermal Conversion Processes.
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- Energies (19961073), 2024, v. 17, n. 13, p. 3067, doi. 10.3390/en17133067
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Effect of Dust Morphology on Aerosol Optics in the GEOS‐Chem Chemical Transport Model, on UV‐Vis Trace Gas Retrievals, and on Surface Area Available for Reactive Uptake.
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- Journal of Advances in Modeling Earth Systems, 2024, v. 16, n. 10, p. 1, doi. 10.1029/2023MS003746
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An Adaptive Auto‐Reduction Solver for Speeding Up Integration of Chemical Kinetics in Atmospheric Chemistry Models: Implementation and Evaluation in the Kinetic Pre‐Processor (KPP) Version 3.0.0.
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- Journal of Advances in Modeling Earth Systems, 2023, v. 15, n. 2, p. 1, doi. 10.1029/2022MS003293
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Calculation of the decomposition products of C<sub>5</sub>F<sub>10</sub>O-Air mixtures from 500 K to 3500 K with a chemical kinetic model.
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- Plasma Chemistry & Plasma Processing, 2024, v. 44, n. 5, p. 1883, doi. 10.1007/s11090-024-10485-5
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IMPROVING STRUCTURE BASED MODELS FOR PREDICTING CHEMICAL FUNCTIONS AND WEIGHT FRACTIONS IN COSMETIC PRODUCTS USING ENSEMBLE SUPPORT VECTOR MACHINE.
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- Farmacia, 2022, v. 70, n. 2, p. 307, doi. 10.31925/farmacia.2022.2.17
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Theoretical Model for the Impact-Initiated Chemical Reaction of Al/PTFE Reactive Material.
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- Materials (1996-1944), 2022, v. 15, n. 15, p. 5356, doi. 10.3390/ma15155356
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ML-TOMCAT: Machine-Learning-Based Satellite-Corrected Global Stratospheric Ozone Profile Dataset from a Chemical Transport Model.
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- Earth System Science Data Discussions, 2021, p. 1, doi. 10.5194/essd-2021-225
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Using an ensemble Kalman filter method to calibrate parameters of a prediction model for chemical transport from soil to surface runoff.
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- Environmental Science & Pollution Research, 2021, v. 28, n. 4, p. 4404, doi. 10.1007/s11356-020-08879-x
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An out-of-distribution-aware autoencoder model for reduced chemical kinetics.
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- Discrete & Continuous Dynamical Systems - Series S, 2022, v. 15, n. 4, p. 913, doi. 10.3934/dcdss.2021138
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Establishment and verification of prediction models for evaluating the physical and chemical properties of soilless substrates.
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- International Journal of Agricultural & Biological Engineering, 2021, v. 14, n. 2, p. 9, doi. 10.25165/j.ijabe.20211402.5815
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