Works matching DE "CHEMICAL models"

Results: 3063

Experimental Characterization and Molding Simulation of Water-foamed Rigid Polyurethane.

Published in:

Plastics Science & Technology / Suliao Ke-Ji, 2025, v. 53, n. 4, p. 58, doi. 10.15925/j.cnki.issn1005-3360.2025.04.010

By:

HE Yibo;
LIAO Qiuhui;
WANG Haibo;
ZHU Kang;
WANG Qidi

Publication type:

Article

Performance Study of Spark-Ignited Methanol–Hydrogen Engine by Using a Fractal Turbulent Combustion Model Coupled with Chemical Reaction Kinetics.

Published in:

Journal of Marine Science & Engineering, 2025, v. 13, n. 5, p. 959, doi. 10.3390/jmse13050959

By:

Zhang, Yingting;
Ding, Yu;
Ren, Xiaohui;
Xiang, La

Publication type:

Article

ProLinker–Generator: Design of a PROTAC Linker Base on a Generation Model Using Transfer and Reinforcement Learning.

Published in:

Applied Sciences (2076-3417), 2025, v. 15, n. 10, p. 5616, doi. 10.3390/app15105616

By:

Luo, Yanlin;
Song, Danyang;
Zhang, Chengwei;
Su, An

Publication type:

Article

Ionic Speciation of Ecotoxic Lead (2+), Cadmium (2+), and Naturally Occurring Ions with Dissolved Organic Matter in Seawater from the Bay of Bengal by Differential Pulse Anodic Stripping Voltammetry, Continuous Binding Model, and Computational Chemical Equilibria: Effect of Global Warming

Published in:

Water (20734441), 2025, v. 17, n. 10, p. 1470, doi. 10.3390/w17101470

By:

Nabi, Mahmudun;
Hussam, Abul;
Khan, Amir H.

Publication type:

Article

Using Chemical Transport Model and Climatology Data as Backgrounds for Aerosol Optical Depth Spatial–Temporal Optimal Interpolation.

Published in:

Atmosphere, 2025, v. 16, n. 5, p. 623, doi. 10.3390/atmos16050623

By:

Miatselskaya, Natallia;
Bril, Andrey;
Chaikovsky, Anatoly

Publication type:

Article

Development and Evaluation of the Online Hybrid Model CAMx-LPiG.

Published in:

Atmosphere, 2025, v. 16, n. 5, p. 604, doi. 10.3390/atmos16050604

By:

Piccoli, Andrea;
Agresti, Valentina;
Lonati, Giovanni;
Pirovano, Guido

Publication type:

Article

Aerosol Distribution Due to Wildfire in Sumatra, Indonesia Considered from Model Simulation.

Published in:

Remote Sensing, 2025, v. 17, n. 10, p. 1657, doi. 10.3390/rs17101657

By:

Nakata, Makiko;
Mukai, Sonoyo

Publication type:

Article

Modelling the post‐fire material behaviour of high‐ and ultra‐high‐strength steels.

Published in:

Steel Construction: Design & Research, 2025, v. 18, n. 2, p. 69, doi. 10.1002/stco.202500003

By:

Uszball, Sara;
Knobloch, Markus

Publication type:

Article

Ozone Production Underestimation Over the Tibetan Plateau: The Role of NOx and OVOCs Modeling Uncertainties.

Published in:

Journal of Geophysical Research. Atmospheres, 2025, v. 130, n. 10, p. 1, doi. 10.1029/2025JD043321

By:

Wang, Jianshu;
Wang, Haoqi;
Zhang, Chong;
Wang, Yaru;
Zhang, Yingjie;
Zhou, Jiacheng;
Xu, Wanyun;
Whalley, Lisa K.;
Dyson, Joanna E.;
Slater, Eloise J.;
Xing, Chengzhi;
Chi, Suzhen;
Wang, Yumingzi;
Wang, Lifan;
Yu, Xuena;
Zeng, Limin;
Lin, Weili;
Zhao, Weixiong;
Heard, Dwayne E.;
Song, Shaojie

Publication type:

Article

Quorum sensing: Sequester and destroy.

Published in:

Nature Reviews Microbiology, 2007, v. 5, n. 4, p. 246, doi. 10.1038/nrmicro1647

By:

Molloy, Sheilagh

Publication type:

Article

Computer Simulation of the Three-Dimensional Structure of the Glutamate Site of the NR2B Subunit of the NMDA Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 382, n. 1-6, p. 38, doi. 10.1023/A:1014407323940

By:

Tikhonova, I. G.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Caffeine Biodegradation by Cytochrome P450 1A2. What Determines the Product Distributions?

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 32, p. 1, doi. 10.1002/chem.202203875

By:

Mokkawes, Thirakorn;
de Visser, Sam P.

Publication type:

Article

Quantum Bio‐Inorganic Chemistry (QBIC) Society Special Collection.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 49, p. 1, doi. 10.1002/chem.202202185

By:

Rulíšek, Lubomír;
Gruden, Maja;
Orio, Maylis;
Deeth, Robert J.

Publication type:

Article

Novel Lipophilic Fluorophores with Highly Acidity‐Dependent Two‐Photon Response.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 8, p. 1, doi. 10.1002/chem.202103707

By:

Rammo, Matt;
Trummal, Aleksander;
Uudsemaa, Merle;
Pahapill, Juri;
Petritsenko, Katrin;
Sildoja, Meelis‐Mait;
Stark, Charles W.;
Selberg, Sigrid;
Leito, Ivo;
Palmi, Kirsti;
Adamson, Jasper;
Rebane, Aleksander

Publication type:

Article

Chemical Bonding in Silicon Carbonyl Complexes.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 41, p. 10601, doi. 10.1002/chem.202100493

By:

Sergeieva, Tetiana;
Mandal, Debdeep;
Andrada, Diego M.

Publication type:

Article

Quantitative and Chemically Intuitive Evaluation of the Nature of M−L Bonds in Paramagnetic Compounds: Application of EDA‐NOCV Theory to Spin Crossover Complexes.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 60, p. 13677, doi. 10.1002/chem.202002146

By:

Bondì, Luca;
Garden, Anna L.;
Jerabek, Paul;
Totti, Federico;
Brooker, Sally

Publication type:

Article

Soft Scorpionate Hydridotris(2‐mercapto‐1‐methylimidazolyl) borate) Tungsten‐Oxido and ‐Sulfido Complexes as Acetylene Hydratase Models.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 54, p. 12431, doi. 10.1002/chem.202001127

By:

Vidovič, Carina;
Belaj, Ferdinand;
Mösch‐Zanetti, Nadia C.

Publication type:

Article

The Underlying Chemistry to the Formation of PO2 Radicals from Organophosphorus Compounds: A Missing Puzzle Piece in Flame Chemistry.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 47, p. 10795, doi. 10.1002/chem.202001388

By:

Liang, Shuyu;
Hemberger, Patrick;
Steglich, Mathias;
Simonetti, Pietro;
Levalois‐Grützmacher, Joëlle;
Grützmacher, Hansjörg;
Gaan, Sabyasachi

Publication type:

Article

Exceptional Substrate Diversity in Oxygenation Reactions Catalyzed by a Bis(μ‐oxo) Copper Complex.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 34, p. 7556, doi. 10.1002/chem.202000664

By:

Paul, Melanie;
Teubner, Melissa;
Grimm‐Lebsanft, Benjamin;
Golchert, Christiane;
Meiners, Yannick;
Senft, Laura;
Keisers, Kristina;
Liebhäuser, Patricia;
Rösener, Thomas;
Biebl, Florian;
Buchenau, Sören;
Naumova, Maria;
Murzin, Vadim;
Krug, Roxanne;
Hoffmann, Alexander;
Pietruszka, Jörg;
Ivanović‐Burmazović, Ivana;
Rübhausen, Michael;
Herres‐Pawlis, Sonja

Publication type:

Article

Nitridophosphate‐Based Ultra‐Narrow‐Band Blue‐Emitters: Luminescence Properties of AEP8N14:Eu2+ (AE=Ca, Sr, Ba).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 32, p. 7292, doi. 10.1002/chem.202001129

By:

Wendl, Sebastian;
Eisenburger, Lucien;
Strobel, Philipp;
Günther, Daniel;
Wright, Jonathan P.;
Schmidt, Peter J.;
Oeckler, Oliver;
Schnick, Wolfgang

Publication type:

Article

Is There a Single Ideal Parameter for Halogen‐Bonding‐Based Lewis Acidity?

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 17, p. 3843, doi. 10.1002/chem.201905273

By:

Engelage, Elric;
Reinhard, Dominik;
Huber, Stefan M.

Publication type:

Article

Frontispiece: Evidence for a Proton‐Coupled Electron Transfer Mechanism in a Biomimetic System for Monoamine Oxidase B Catalysis.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 4, p. N.PAG, doi. 10.1002/chem.202080463

By:

Nakamura, Akiko;
Latif, Marwa Abdel;
Deck, Paul A.;
Castagnoli, Neal;
Tanko, James M.

Publication type:

Article

Side‐on‐End‐on Coordination of Dinitrogen on a Polynuclear Vanadium Nitride Cluster Anion [V5N5]−.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 72, p. 16523, doi. 10.1002/chem.201904362

By:

Cheng, Xin;
Li, Zi‐Yu;
Mou, Li‐Hui;
Ren, Yi;
Liu, Qing‐Yu;
Ding, Xun‐Lei;
He, Sheng‐Gui

Publication type:

Article

Kinetic models of photosystem II should accommodate the effect of donor side quenching on variable chlorophyll a fluorescence in the microseconds time range.

Published in:

Photosynthesis Research, 2009, v. 102, n. 1, p. 99, doi. 10.1007/s11120-009-9477-4

By:

Wim Vredenberg

Publication type:

Article

Population-induced phase transitions and the verification of chemical reaction networks.

Published in:

Natural Computing, 2024, v. 23, n. 2, p. 347, doi. 10.1007/s11047-021-09877-9

By:

Lathrop, James I.;
Lutz, Jack H.;
Lutz, Robyn R.;
Potter, Hugh D.;
Riley, Matthew R.

Publication type:

Article

Preparation of a finely patterned LaNiO film via chemical modification.

Published in:

Journal of Materials Science: Materials in Electronics, 2016, v. 27, n. 5, p. 5211, doi. 10.1007/s10854-016-4415-7

By:

Jia, Jiqiang;
Zhao, Gaoyang;
Wang, Xin;
Lei, Li

Publication type:

Article

Chemical variation with altitude and longitude on exo-Neptunes: Predictions for Ariel phase-curve observations.

Published in:

Experimental Astronomy, 2022, v. 53, n. 2, p. 279, doi. 10.1007/s10686-021-09749-1

By:

Moses, Julianne I.;
Tremblin, Pascal;
Venot, Olivia;
Miguel, Yamila

Publication type:

Article

Rheological properties of acid-induced carboxymethylcellulose hydrogels.

Published in:

Cellulose, 2025, v. 32, n. 2, p. 903, doi. 10.1007/s10570-024-06330-9

By:

Legrand, Gauthier;
Baeza, Guilhem P.;
Manneville, Sébastien;
Divoux, Thibaut

Publication type:

Article

Model systems for clarifying the effects of surface modification on fibre–fibre joint strength and paper mechanical properties.

Published in:

Cellulose, 2024, v. 31, n. 14, p. 8465, doi. 10.1007/s10570-024-06103-4

By:

Asta, Nadia;
Loist, Maximilian;
Reid, Michael S.;
Wågberg, Lars

Publication type:

Article

Uranyl Retention on Quartz—New Experimental Data and Blind Prediction Using an Existing Surface Complexation Model.

Published in:

Aquatic Geochemistry, 2009, v. 15, n. 3, p. 443, doi. 10.1007/s10498-009-9060-9

By:

Florian Huber;
Johannes Lützenkirchen

Publication type:

Article

Physical and reactive absorption of CO2 in capillaries: Mass transfer, modelling and produced chemical species.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2023, v. 198, p. 247, doi. 10.1016/j.cherd.2023.08.045

By:

Morales, Daniel O.;
Regalado-Méndez, Alejandro;
Pérez-Alonso, César;
Natividad, Reyna

Publication type:

Article

Rate-based column simulation in the complex domain.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2023, v. 193, p. 28, doi. 10.1016/j.cherd.2023.03.009

By:

Jawahill, Jaeide B.;
Taylor, Ross

Publication type:

Article

Development and calibration of a model for packed bed marine scrubbers aboard ocean-going vessels.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2023, v. 191, p. 50, doi. 10.1016/j.cherd.2022.12.028

By:

Poulsen, Mathias;
Ström, Henrik;
Sasic, Srdjan;
Sørensen, Kim;
Condra, Thomas

Publication type:

Article

An efficient chemistry-enhanced CFD model for the investigation of the rate-limiting mechanisms in industrial Chemical Vapor Deposition reactors.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2022, v. 186, p. 314, doi. 10.1016/j.cherd.2022.08.005

By:

Papavasileiou, Paris;
Koronaki, Eleni D.;
Pozzetti, Gabriele;
Kathrein, Martin;
Czettl, Christoph;
Boudouvis, Andreas G.;
Mountziaris, T.J.;
Bordas, Stéphane P.A.

Publication type:

Article

CHEOPS: A tool-integration platform for chemical process modelling and simulation.

Published in:

International Journal on Software Tools for Technology Transfer, 2004, v. 6, n. 3, p. 186, doi. 10.1007/s10009-004-0157-6

By:

Schopfer, G.;
Yang, A.;
von Wedel, L.;
Marquardt, W.

Publication type:

Article

Thermo-oxidative aging of natural rubber: experimental study and a thermodynamically consistent mechanical-chemical-diffusion model.

Published in:

Continuum Mechanics & Thermodynamics, 2024, v. 36, n. 6, p. 1579, doi. 10.1007/s00161-024-01317-0

By:

Jalalpour, A.;
Arghavani, J.;
Naghdabadi, R.

Publication type:

Article

Modeling and FE simulation of coupled water diffusion and viscoelasticity in relaxation tests of polyamide 6.

Published in:

Continuum Mechanics & Thermodynamics, 2024, v. 36, n. 4, p. 935, doi. 10.1007/s00161-024-01305-4

By:

Dyck, Alexander;
Groß, Leonhard;
Keursten, Johannes;
Kehrer, Loredana;
Böhlke, Thomas

Publication type:

Article

Modeling chemical reactions in porous media: a review.

Published in:

Continuum Mechanics & Thermodynamics, 2021, v. 33, n. 6, p. 2279, doi. 10.1007/s00161-021-01049-5

By:

Detmann, Bettina

Publication type:

Article

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.

Published in:

Continuum Mechanics & Thermodynamics, 2021, v. 33, n. 6, p. 2315, doi. 10.1007/s00161-020-00874-4

By:

Kari, Leif

Publication type:

Article

Reaction Networks for Interstellar Chemical Modelling: Improvements and Challenges.

Published in:

Space Science Reviews, 2010, v. 156, n. 1-4, p. 13, doi. 10.1007/s11214-010-9712-5

By:

Wakelam, V.;
Smith, I.;
Herbst, E.;
Troe, J.;
Geppert, W.;
Linnartz, H.;
Öberg, K.;
Roueff, E.;
Agúndez, M.;
Pernot, P.;
Cuppen, H.;
Loison, J.;
Talbi, D.

Publication type:

Article

Comets and Chemical Composition.

Published in:

Space Science Reviews, 2007, v. 130, n. 1-4, p. 73, doi. 10.1007/s11214-007-9210-6

By:

Delanoye, S. N.;
de Keyser, J.

Publication type:

Article

The self-disproportionation of enantiomers (SDE) via column chromatography of β-amino-α,α-difluorophosphonic acid derivatives.

Published in:

Amino Acids, 2019, v. 51, n. 9, p. 1377, doi. 10.1007/s00726-019-02774-7

By:

Kwiatkowska, Magdalena;
Marcinkowska, Magdalena;
Wzorek, Alicja;
Pajkert, Romana;
Han, Jianlin;
Klika, Karel D.;
Soloshonok, Vadim A.;
Röschenthaler, Gerd-Volker

Publication type:

Article

A photoactivable amino acid based on a novel functional coumarin-6-yl-alanine.

Published in:

Amino Acids, 2012, v. 43, n. 6, p. 2329, doi. 10.1007/s00726-012-1310-2

By:

Fonseca, Andrea;
Gonçalves, M.;
Costa, Susana

Publication type:

Article

Theoretical basis for optimal collector concentrations and pulp pH values during flotation of sulfide-free minerals.

Published in:

Journal of Mining Science, 2006, v. 42, n. 2, p. 178, doi. 10.1007/s10913-006-0045-4

By:

Abramov, A.;
Magazanik, D.

Publication type:

Article

Pregnane X receptor inhibits the transdifferentiation of hepatic stellate cells by down-regulating periostin expression.

Published in:

Biochemical Journal, 2024, v. 481, n. 18, p. 1173, doi. 10.1042/BCJ20240172

By:

Takumi Sato;
Ryota Shizu;
Ryonosuke Baba;
Akira Ooka;
Takuomi Hosaka;
Yuichiro Kanno;
Kouichi Yoshinari

Publication type:

Article

Refinement of State-Resolved Models for Chemical Kinetics Using the Data of Trajectory Calculations.

Published in:

Fluid Dynamics, 2022, v. 57, p. S46, doi. 10.1134/S0015462822601243

By:

Kustova, E. V.;
Savelev, A. S.;
Lukasheva, A. A.

Publication type:

Article

Evaluation of aerial chemical system efficiency.

Published in:

Automation & Remote Control, 2012, v. 73, n. 5, p. 900, doi. 10.1134/S0005117912050141

By:

Kostina, I.

Publication type:

Article

An improved physico-chemical model of hybridization on high-density oligonucleotide microarrays.

Published in:

Bioinformatics, 2008, v. 24, n. 10, p. 1278, doi. 10.1093/bioinformatics/btn109

By:

Naoaki Ono;
Shingo Suzuki;
Chikara Furusawa;
Tomoharu Agata;
Akiko Kashiwagi;
Hiroshi Shimizu;
Tetsuya Yomo

Publication type:

Article

Creating protein models from electron-density maps using particle-filtering methods.

Published in:

Bioinformatics, 2007, v. 23, n. 21, p. 2851, doi. 10.1093/bioinformatics/btm480

By:

Frank DiMaio;
Dmitry A. Kondrashov;
Eduard Bitto;
Ameet Soni;
Craig A. Bingman;
George N. Phillips;
Jude W. Shavlik

Publication type:

Article

Development and Applications of a Kinetic Model for Resveratrol Production in Escherichia coli Cell Factories.

Published in:

Trends in Sciences, 2025, v. 22, n. 5, p. 1, doi. 10.48048/tis.2025.9529

By:

Sirinapa Kumsuwan;
Chonnikan Tothong;
Apinun Limmongkon;
Pakpoom Subsoontorn

Publication type:

Article