Works matching DE "CHEMICAL models"
Results: 2939
Inversion of Aerosol Chemical Composition in the Beijing–Tianjin–Hebei Region Using a Machine Learning Algorithm.
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- Atmosphere, 2025, v. 16, n. 2, p. 114, doi. 10.3390/atmos16020114
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Core to Cosmic Edge: SIMBA-C 's New Take on Abundance Profiles in the Intragroup Medium at z = 0.
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- Universe (2218-1997), 2025, v. 11, n. 2, p. 47, doi. 10.3390/universe11020047
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Motor and Non-Motor Effects of Acute MPTP in Adult Zebrafish: Insights into Parkinson's Disease.
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- International Journal of Molecular Sciences, 2025, v. 26, n. 4, p. 1674, doi. 10.3390/ijms26041674
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Mapping kinase domain resistance mechanisms for the MET receptor tyrosine kinase via deep mutational scanning.
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- eLife, 2025, p. 1, doi. 10.7554/eLife.101882
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Toward a Quantum Computing Formulation of the Electron Nuclear Dynamics Method via Fukutome Unitary Representation.
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- Symmetry (20738994), 2025, v. 17, n. 2, p. 303, doi. 10.3390/sym17020303
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Influence of Chemical Kinetics on Tulip Flame Formation in Highly Reactive (H 2 /Air) and Low Reactive (CH 4 /Air) Mixtures.
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- Energies (19961073), 2025, v. 18, n. 4, p. 885, doi. 10.3390/en18040885
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Reactive Transport Modeling of Uranium in Subsurface: Impact of Field-Scale Heterogeneity and Biogeochemical Dynamics.
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- Water (20734441), 2025, v. 17, n. 4, p. 514, doi. 10.3390/w17040514
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A hybrid approach for the control of axonal outgrowth: preliminary simulation results.
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- Medical & Biological Engineering & Computing, 2011, v. 49, n. 2, p. 163, doi. 10.1007/s11517-010-0687-x
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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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Quantum Bio‐Inorganic Chemistry (QBIC) Society Special Collection.
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- Chemistry - A European Journal, 2022, v. 28, n. 49, p. 1, doi. 10.1002/chem.202202185
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Gold(I)‐katalysierte Intramolekulare 7‐endo‐dig Zyklisierung von Trien‐In‐Systemen: Neuer Zugang zu Azulenothiophenen.
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- Angewandte Chemie, 2024, v. 136, n. 23, p. 1, doi. 10.1002/ange.202402481
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Nonclassical Crystallization Causes Dendritic and Band‐Like Microscale Patterns in Inorganic Precipitates.
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- Angewandte Chemie, 2023, v. 135, n. 36, p. 1, doi. 10.1002/ange.202306885
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Heterocyclic Chromophore Amphiphiles and their Supramolecular Polymerization.
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- Angewandte Chemie, 2023, v. 135, n. 17, p. 1, doi. 10.1002/ange.202214997
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- Article
Denisia M. Popolan‐Vaida.
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- Angewandte Chemie, 2022, v. 134, n. 49, p. 1, doi. 10.1002/ange.202214658
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- Article
Innentitelbild: The Role of Heme Peroxo Oxidants in the Rational Mechanistic Modeling of Nitric Oxide Synthase: Characterization of Key Intermediates and Elucidation of the Mechanism (Angew. Chem. 48/2022).
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- Angewandte Chemie, 2022, v. 134, n. 48, p. 1, doi. 10.1002/ange.202215829
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Tobias A. Engesser.
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- Angewandte Chemie, 2022, v. 134, n. 25, p. 1, doi. 10.1002/ange.202205300
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- Article
Reversing a Platinum Micromotor by Introducing Platinum Oxide.
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- Angewandte Chemie, 2022, v. 134, n. 24, p. 1, doi. 10.1002/ange.202201018
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Construction of A High‐Flux Protein Transport Channel Inspired by the Nuclear Pore Complex.
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- Angewandte Chemie, 2021, v. 133, n. 46, p. 24648, doi. 10.1002/ange.202110273
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A Visible‐Light‐Regulated Chloride Transport Channel Inspired by Rhodopsin.
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- Angewandte Chemie, 2021, v. 133, n. 6, p. 2928, doi. 10.1002/ange.202012984
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The Active Site of a Prototypical "Rigid" Drug Target is Marked by Extensive Conformational Dynamics.
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- Angewandte Chemie, 2020, v. 132, n. 51, p. 23116, doi. 10.1002/ange.202009348
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Towards a Single Chemical Model for Understanding Lanthanide Hexaborides.
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- Angewandte Chemie, 2020, v. 132, n. 50, p. 22873, doi. 10.1002/ange.202010638
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Ag — Bearing Mica: Synthesis and Crystal Chemistry.
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- Journal of Materials Science, 2006, v. 41, n. 5, p. 1349, doi. 10.1007/s10853-006-7340-y
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Modulation of β‐catenin levels regulates cranial neural crest patterning and dispersal into first pharyngeal arch.
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- Developmental Dynamics, 2020, v. 249, n. 11, p. 1347, doi. 10.1002/dvdy.208
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Toward Probing Molecular Radiolysis Behavior in Gas Cell Electron Microscopy.
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- Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.839
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Bitter Taste and Olfactory Receptors: Beyond Chemical Sensing in the Tongue and the Nose.
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- Journal of Membrane Biology, 2021, v. 254, n. 4, p. 343, doi. 10.1007/s00232-021-00182-1
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Impact of processing conditions on microstructure, texture and chemical properties of model cheese from sheep milk.
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- Food & Bioproducts Processing: Transactions of the Institution of Chemical Engineers Part C, 2019, v. 116, p. 160, doi. 10.1016/j.fbp.2019.05.003
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Can global warming bring more dust?
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- Climate Dynamics, 2023, v. 61, n. 5/6, p. 2693, doi. 10.1007/s00382-023-06706-w
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Inhibitory effects of hyperoside and quercitrin from Zanthoxylum bungeanum Maxim. leaf on 2-amino-1-methyl-6-phenylimidazo [4,5-b]pyridine formation by trapping phenylacetaldehyde.
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- European Food Research & Technology, 2022, v. 248, n. 1, p. 25, doi. 10.1007/s00217-020-03676-9
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Quantum-Chemical Modeling of the Process of Drug Adsorption and the Immobilization of Phytocomponents in Medicinal Forms.
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- Pharmaceutical Chemistry Journal, 2003, v. 37, n. 7, p. 374, doi. 10.1023/A:1026327826532
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Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid.
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- Journal of Structural Chemistry, 2019, v. 60, n. 9, p. 1396, doi. 10.1134/S002247661909004X
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Quantum Chemical Modeling of Electrochemical Consecutive Reduction of Fe(III) Aqua- and Aqua-Hydroxocomplexes.
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- Journal of Structural Chemistry, 2019, v. 60, n. 8, p. 1226, doi. 10.1134/S0022476619080031
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Tautomerism of substituted salicylaldehyde and 2-diphenylphosphinebenzaldehyde 1′-phthalazinylhydrazones: X-ray crystallography and quantum chemical modeling.
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- Journal of Structural Chemistry, 2013, v. 54, n. 5, p. 952, doi. 10.1134/S0022476613050168
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Genesis of the phonon spectra of A<sup>2</sup>B<sup>4</sup>C<sub>2</sub><sup>5</sup> and A<sup>1</sup>B<sup>3</sup>C<sub>2</sub><sup>6</sup> crystals with a chalcopyrite lattice from the vibrational states of their sublattices.
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- Journal of Structural Chemistry, 2013, v. 54, n. 5, p. 843, doi. 10.1134/S0022476613050028
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Adsorption behavior of Co and C<sub>2</sub>H<sub>2</sub> on the graphite basal surface: A quantum chemistry study.
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- Journal of Structural Chemistry, 2013, v. 54, n. 5, p. 850, doi. 10.1134/S002247661305003X
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Modeling of the bis(glycinato)copper(ii) cis-trans isomerization process: Theoretical analysis.
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- Journal of Structural Chemistry, 2011, v. 52, n. 5, p. 876, doi. 10.1134/S0022476611050052
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A study of the electronic structure of polyvinylsiloxane (CHCHSiO) by X-ray photoelectron spectroscopy and quantum chemical modeling in the DFT approximation.
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- Journal of Structural Chemistry, 2010, v. 51, n. 5, p. 875, doi. 10.1007/s10947-010-0133-9
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Electronic structure and magnetic properties of RhH ( x = 0.25, 1.00, 1.33) rhodium hydrides according to the FLAPW-GGA band calculation data.
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- Journal of Structural Chemistry, 2010, v. 51, n. 5, p. 956, doi. 10.1007/s10947-010-0145-5
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Flory theory applied to polycondensation polymers with a finite number of fractions.
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- Fibre Chemistry, 2013, v. 45, n. 1, p. 9, doi. 10.1007/s10692-013-9472-6
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Modeling of loss of the properties of textile materials as a reliability theory problem.
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- Fibre Chemistry, 2009, v. 41, n. 4, p. 267, doi. 10.1007/s10692-010-9176-0
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Possibilities of molecular modeling of cellulose in fabrication of therapeutically active textile materials.
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- Fibre Chemistry, 2009, v. 41, n. 1, p. 34, doi. 10.1007/s10692-009-9115-0
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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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Conditions and mechanism of the ionization and dissociation of water. Predictions based on nonempirical calculations.
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- Protection of Metals, 2007, v. 43, n. 3, p. 215, doi. 10.1134/S0033173207030022
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Modeling Chemical Tests and Fiber Identification of Paper Materials Using Principal Component Analysis and Specular Reflection FTIR Data.
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- Heritage (2571-9408), 2022, v. 5, n. 3, p. 1960, doi. 10.3390/heritage5030102
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Aerosol Emission Patterns from the February 2019 Karnataka Fire.
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- Fire (2571-6255), 2024, v. 7, n. 12, p. 424, doi. 10.3390/fire7120424
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- Article
UM ESTUDO SOBRE O ÍNDICE DE CONECTIVIDADE DE LIGAÇÃO ATÔMICA EM GRAFOS QUÍMICOS.
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- Revista Foco (Interdisciplinary Studies Journal), 2023, v. 16, n. 1, p. 1, doi. 10.54751/revistafoco.v16n1-066
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Estimation of Unknown Object Measures in a Chemical Weighing Design with Correlated Errors.
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- Acta Universitatis Lodziensis. Folia Oeconomica, 2024, v. 3, n. 368, p. 36, doi. 10.18778/0208-6018.368.02
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