Works matching DE "CHEMICAL models"

Results: 3078

Boronolipids.

Published in:

Vietnam Journal of Chemistry, 2025, v. 63, n. 3, p. 373, doi. 10.1002/vjch.202400208

By:

Dembitsky, Valery M.

Publication type:

Article

An investigation of the impact of Canadian wildfires on US air quality using model, satellite, and ground measurements.

Published in:

Atmospheric Chemistry & Physics, 2025, v. 25, n. 11, p. 5497, doi. 10.5194/acp-25-5497-2025

By:

Xue, Zhixin;
Udaysankar, Nair;
Christopher, Sundar A.

Publication type:

Article

Measurement report: Characterization of aerosol hygroscopicity over Southeast Asia during the NASA CAMP2Ex campaign.

Published in:

Atmospheric Chemistry & Physics, 2025, v. 25, n. 11, p. 5469, doi. 10.5194/acp-25-5469-2025

By:

Lorenzo, Genevieve Rose;
Ziemba, Luke D.;
Arellano, Avelino F.;
Barth, Mary C.;
Crosbie, Ewan C.;
DiGangi, Joshua P.;
Diskin, Glenn S.;
Ferrare, Richard;
Hilario, Miguel Ricardo A.;
Shook, Michael A.;
Tilmes, Simone;
Wang, Jian;
Xiao, Qian;
Zhang, Jun;
Sorooshian, Armin

Publication type:

Article

Kinetic modelling and reactivity of liquid nitromethane under detonation conditions.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01582-3

By:

Zhang, Teng;
Chen, Lang;
Yang, Kun;
Zhang, Bin;
Yang, Tuo;
Long, Yao;
Lu, Jianying;
Liu, Danyang;
Chen, Jun

Publication type:

Article

Numerical Modeling of Gas and WC-Co-Cr Particles in the HVOF Process Using DJ2700 Gun and Hydrogen as a Fuel.

Published in:

Journal of Thermal Spray Technology, 2025, v. 34, n. 5, p. 1622, doi. 10.1007/s11666-025-01998-2

By:

Tello, Karem E.;
González, Ignacio;
De Barbieri, Flavio;
Aguilar, Claudio

Publication type:

Article

Pb2+Removal from Aqueous Solutions Using Montmorillonite and Magnetite-Modified Nanostructures.

Published in:

Water, Air & Soil Pollution, 2025, v. 236, n. 7, p. 1, doi. 10.1007/s11270-025-08070-3

By:

Han, Zhen;
Zhang, Yan;
Zheng, Shenghai;
Chen, Jianshu;
Zhang, Yuping;
Yue, Xiaolin

Publication type:

Article

Unlocking the potential of sugarcane bagasse: a comprehensive analysis for advanced energy conversion.

Published in:

Bioresources & Bioprocessing, 2025, v. 12, n. 1, p. 1, doi. 10.1186/s40643-025-00878-5

By:

Pérez, Nestor Proenza;
Travieso, Javier Alejandro Rodríguez;
Shelton, Elbis D´Espaux;
Pedroso, Daniel Travieso;
Machin, Einara Blanco;
Tuna, Celso Eduardo;
Silveira, José Luz

Publication type:

Article

Hybrid Cyclopeptide‐Based Chemical Models for Allosteric Disulfide and Amyloid Self‐Assembly.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 33, p. 1, doi. 10.1002/chem.202500313

By:

Bhardwaj, Surya Kant;
Haridas, V.

Publication type:

Article

Occurrence, Sources, and Prioritization of Per- and Polyfluoroalkyl Substances (PFASs) in Drinking Water from Yangtze River Delta, China: Focusing on Emerging PFASs.

Published in:

Molecules, 2025, v. 30, n. 11, p. 2313, doi. 10.3390/molecules30112313

By:

Qian, Zixin;
Feng, Chao;
Chen, Yuhang;
Lin, Yuanjie;
Liang, Ziwei;
Qian, Hailei;
Zhou, Jingxian;
Ma, Jinjing;
Jin, Yue;
Lu, Dasheng;
Wang, Guoquan;
Xiao, Ping;
Zhou, Zhijun

Publication type:

Article

Development of a Stratospheric Module Based on the CUACE and Preliminary Application to the Global Numerical Weather Prediction Model System GRAEPES_GFS3.0.

Published in:

Geophysical Research Letters, 2025, v. 52, n. 11, p. 1, doi. 10.1029/2025GL116024

By:

Jia, Wenxing;
Zhang, Xiaoye;
Wang, Hong;
Wu, Xiangjun;
Wang, Yaqiang;
Chen, Qiying;
Liu, Chong;
Peng, Yue;
Zhang, Wenjie;
Gong, Sunling;
Shen, Xueshun

Publication type:

Article

Turing Instability of Spatially Homogeneous Periodic Solutions in a Reaction–Diffusion Bimolecular Model.

Published in:

Mathematical Methods in the Applied Sciences, 2025, v. 48, n. 11, p. 11380, doi. 10.1002/mma.10971

By:

Yan, Xiang‐Ping;
Lian, Li‐Na;
Zhang, Cun‐Hua

Publication type:

Article

Analysis and Simulation of Fractional Oscillatory Chemical Reaction Equations.

Published in:

Mathematical Methods in the Applied Sciences, 2025, v. 48, n. 11, p. 11202, doi. 10.1002/mma.10957

By:

Kalyan, Neha;
Ahuja, Sanjeev;
Prakash, Amit

Publication type:

Article

Dynamic Analysis of an Instantaneous/Non‐Instantaneous Unilateral Diffusion Prey–Predator Model With Impulsive Control Strategy.

Published in:

Mathematical Methods in the Applied Sciences, 2025, v. 48, n. 11, p. 10925, doi. 10.1002/mma.10930

By:

Dai, Xiangjun;
Jiao, Jianjun;
Quan, Qi

Publication type:

Article

溶剂对氨基甲酸铵高温化学热泵影响实验研究.

Published in:

Journal of Southeast University / Dongnan Daxue Xuebao, 2025, v. 55, n. 3, p. 680, doi. 10.3969/j.issn.1001-0505.2025.03.007

By:

戴苏洲;
殷勇高

Publication type:

Article

Representation of chemistry transport models simulations using knowledge graphs.

Published in:

Journal of Cheminformatics, 2025, v. 17, p. 1, doi. 10.1186/s13321-025-01025-0

By:

Illueca Fernández, Eduardo;
Jara Valera, Antonio Jesús;
Fernández Breis, Jesualdo Tomás

Publication type:

Article

A Connectivity Model for the Numerical Simulation of Microgel Flooding in Low-Permeability Reservoirs.

Published in:

Fluid Dynamics & Materials Processing, 2025, v. 21, n. 5, p. 1191, doi. 10.32604/fdmp.2025.058865

By:

Wang, Tao;
Yu, Haiyang;
Gao, Jie;
Wang, Fei;
Zhang, Xinlong;
Yang, Hao;
Di, Guirong;
Wang, Pengrun

Publication type:

Article

Regional and sectoral contributions of NO x and reactive carbon emission sources to global trends in tropospheric ozone during the 2000–2018 period.

Published in:

Atmospheric Chemistry & Physics, 2025, v. 25, n. 10, p. 5287, doi. 10.5194/acp-25-5287-2025

By:

Nalam, Aditya;
Lupaşcu, Aura;
Ansari, Tabish;
Butler, Tim

Publication type:

Article

Long-term and interannual variations of atmospheric methane observed by the NIES and collaborative observation networks.

Published in:

Progress in Earth & Planetary Science, 2025, v. 12, n. 1, p. 1, doi. 10.1186/s40645-025-00711-9

By:

Umezawa, Taku;
Tohjima, Yasunori;
Terao, Yukio;
Sasakawa, Motoki;
Müller, Astrid;
Saeki, Tazu;
Machida, Toshinobu;
Nakaoka, Shin-Ichiro;
Nara, Hideki;
Nomura, Shohei;
Nishihashi, Masahide;
Mukai, Hitoshi;
Frey, Matthias Max;
Morino, Isamu;
Ohyama, Hirofumi;
Yoshida, Yukio;
Zeng, Jiye;
Noda, Hibiki;
Saito, Makoto;
Matsunaga, Tsuneo

Publication type:

Article

将来の農地分布の変化が大気汚染物質排出に与える影響の評価.

Published in:

Japanese Journal of JSCE / Doboku Gakkai Ronbunshu, 2024, v. 80, n. 27, p. 1

By:

山﨑航我;
藤森真一郎;
大城賢

Publication type:

Article

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