Works matching Chemical models

Results: 5000

Solving the Chemical Reaction Models with the Upadhyaya Transform.

Published in:

Oriental Journal of Chemistry, 2024, v. 40, n. 3, p. 767, doi. 10.13005/ojc/400318

By:

THAKUR, DINESH;
RAGHAVENDRAN, PRABAKARAN;
GUNASEKAR, THARMALINGAM;
THAKUR, PRAKASH CHAND;
KRISHAN, BAL;
KUMAR, SUNIL

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

Advancing Adverse Drug Reaction Prediction with Deep Chemical Language Model for Drug Safety Evaluation.

Published in:

International Journal of Molecular Sciences, 2024, v. 25, n. 8, p. 4516, doi. 10.3390/ijms25084516

By:

Lin, Jinzhu;
He, Yujie;
Ru, Chengxiang;
Long, Wulin;
Li, Menglong;
Wen, Zhining

Publication type:

Article

Complex formation in the Fe(II)-Fe(III)-acrylamide–water system and chemical models.

Published in:

Journal of Coordination Chemistry, 2020, v. 73, n. 7, p. 1077, doi. 10.1080/00958972.2020.1766682

By:

Rakhimova, M.;
Faizulloev, E.;
Mametova, A.;
Askalieva, N.;
Gafforova, H.;
Dzhumanazarova, A.;
Zhakypova, G.;
Abdullaeva, Z.

Publication type:

Article

Evaluation of Thermodynamic and Chemical Kinetic Models for Hypersonic and High-Temperature Flow Simulation.

Published in:

Applied Sciences (2076-3417), 2023, v. 13, n. 17, p. 9991, doi. 10.3390/app13179991

By:

Zhao, Wei;
Yang, Xinglian;
Wang, Jingying;
Zheng, Yongkang;
Zhou, Yue

Publication type:

Article

Inclusion of Electron Interactions by Rate Equations in Chemical Models.

Published in:

Atoms (2218-2004), 2022, v. 10, n. 2, p. 62, doi. 10.3390/atoms10020062

By:

Campbell, Laurence;
Muccignat, Dale L.;
Brunger, Michael J.

Publication type:

Article

Solution of chemical reaction model using Haar wavelet method with Caputo derivative.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 9, p. 2222, doi. 10.1007/s10910-024-01654-0

By:

Sylvia, Jasinth;
Ghosh, Surath

Publication type:

Article

Biomolecules Responsible for the Total Antioxidant Capacity (TAC) of Human Plasma in Healthy and Cardiopathic Individuals: A Chemical Speciation Model.

Published in:

Antioxidants, 2021, v. 10, n. 5, p. 656, doi. 10.3390/antiox10050656

By:

Prenesti, Enrico;
Berto, Silvia;
Gosmaro, Fabio;
Bagnati, Marco;
Bellomo, Giorgio;
Molina-Montes, Esther;
Hernández-Ruiz, Angela

Publication type:

Article

A Comparative Study of the Fractional-Order Clock Chemical Model.

Published in:

Mathematics (2227-7390), 2020, v. 8, n. 9, p. 1436, doi. 10.3390/math8091436

By:

Srivastava, Hari Mohan;
Saad, Khaled M.

Publication type:

Article

Quantum Chemical GA-MLR, Cluster Model, and Conceptual DFT Descriptors Studies on the Binding Interaction of Estrogen Receptor Alpha with Endocrine Disrupting Chemicals.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 2, p. 228, doi. 10.3390/cryst13020228

By:

Chi, Shu-Chun;
Hsi, Hsing-Cheng;
Chang, Chia-Ming

Publication type:

Article

Computational Studies on the Interaction of Organophosphorus Pesticides with Acetylcholinesterase and Butyrylcholinesterase: Quantum Chemical Cluster Model and HSAB Approaches.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 1, p. 153, doi. 10.3390/cryst13010153

By:

Chi, Shu-Chun;
Chang, Chia Ming

Publication type:

Article

PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models.

Published in:

Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00866-5

By:

Thomas, Morgan;
Ahmad, Mazen;
Tresadern, Gary;
de Fabritiis, Gianni

Publication type:

Article

A HYBRID APPROACH FOR SYNCHRONIZING BETWEEN TWO REACTION–DIFFUSION SYSTEMS OF INTEGER- AND FRACTIONAL-ORDER APPLIED ON CERTAIN CHEMICAL MODELS.

Published in:

Fractals, 2022, v. 30, n. 5, p. 1, doi. 10.1142/S0218348X22401454

By:

WANG, BO;
OUANNAS, ADEL;
KARACA, YELIZ;
XIA, WEI-FENG;
JAHANSHAHI, HADI;
ALKHATEEB, ABDULHAMEED F.;
NOUR, MAJID

Publication type:

Article

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.

Published in:

European Food Research & Technology, 2016, v. 242, n. 3, p. 313, doi. 10.1007/s00217-015-2541-8

By:

Zeng, Maomao;
Li, Yang;
He, Zhiyong;
Qin, Fang;
Tao, Guanjun;
Zhang, Shuang;
Gao, Yahui;
Chen, Jie

Publication type:

Article

Biocompatibility and Transplantation Efficacy of the C-Clear Artificial Cornea in a Rabbit Chemical Burn Model.

Published in:

Bioengineering (Basel), 2023, v. 10, n. 10, p. 1235, doi. 10.3390/bioengineering10101235

By:

Chung, Ho-Seok;
Nam, Sanghyu;
Lee, Ko-Eun;
Jeong, Do-Sun;
Oh, Seheon;
Sunwoo, Jeong-Hye;
Lee, Hun;
Kim, Jae-Yong;
Tchah, Hungwon

Publication type:

Article

Development of a New Evaporation Exposure Model: Chemical Product Evaporation Model (CPEM).

Published in:

Applied Sciences (2076-3417), 2022, v. 12, n. 6, p. 3112, doi. 10.3390/app12063112

By:

Yoo, Geonwoo;
Park, Jung-Hyun;
Kwak, Dong-yoon;
Lee, Jong-Hyeon

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

Air Pollution in Moscow Megacity: Data Fusion of the Chemical Transport Model and Observational Network.

Published in:

Atmosphere, 2021, v. 12, n. 3, p. 374, doi. 10.3390/atmos12030374

By:

Ponomarev, Nikolai;
Yushkov, Vladislav;
Elansky, Nikolai

Publication type:

Article

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.

Published in:

Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 825, doi. 10.1002/jcc.20388

By:

Seongho Moon;
Case, David A.

Publication type:

Article

Codimension-2 bifurcations on the curve of the Neimark–Sacker bifurcation for a discrete-time chemical model.

Published in:

Journal of Mathematical Chemistry, 2023, v. 61, n. 5, p. 1063, doi. 10.1007/s10910-023-01449-9

By:

Eskandari, Zohreh;
Ghaziani, R. Khoshsiar;
Avazzadeh, Zakieh;
Li, Bo

Publication type:

Article

Inhibitory Effects of Some Hydrocolloids on the Formation of Advanced Glycation End Products and Heterocyclic Amines in Chemical Models and Grilled Beef Patties.

Published in:

Polymers (20734360), 2023, v. 15, n. 19, p. 3914, doi. 10.3390/polym15193914

By:

Du, Hongfei;
Huang, Tiantian;
Zeng, Maomao;
Shen, Qingwu;
Jiao, Ye;
Quan, Wei

Publication type:

Article

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.

Published in:

Molecules, 2019, v. 24, n. 21, p. 3828, doi. 10.3390/molecules24213828

By:

Ishak, Ainaatul Asmaa;
Selamat, Jinap;
Sulaiman, Rabiha;
Sukor, Rashidah;
Abdulmalek, Emilia;
Jambari, Nuzul Noorahya

Publication type:

Article

Estimation of Satellite-Based SO4²-- and NH4+ Composition of Ambient Fine Particulate Matter over China Using Chemical Transport Model.

Published in:

Remote Sensing, 2017, v. 9, n. 8, p. 817, doi. 10.3390/rs9080817

By:

Shenshen Li;
Liangfu Chen;
Chao Yu;
Yidan Si;
Wende Zhu

Publication type:

Article

Modeling Surface Air Pollution with Reduced Emissions during the COVID-19 Pandemic Using CHIMERE and COSMO-ART Chemical Transport Models.

Published in:

Russian Meteorology & Hydrology, 2022, v. 47, n. 3, p. 174, doi. 10.3103/S1068373922030025

By:

Kuznetsova, I. N.;
Rivin, G. S.;
Borisov, D. V.;
Shalygina, I. Yu.;
Kirsanov, A. A.;
Nakhaev, M. I.

Publication type:

Article

COMPUTATIONAL MODEL OF A FRACTIONAL-ORDER CHEMICAL REACTOR SYSTEM AND ITS CONTROL USING ADAPTIVE SLIDING MODE CONTROL.

Published in:

Fractals, 2022, v. 30, n. 10, p. 1, doi. 10.1142/S0218348X22402435

By:

ALLAHEM, ALI;
KARTHIKEYAN, ANITHA;
VARADHARAJAN, MANISEKARAN;
RAJAGOPAL, KARTHIKEYAN

Publication type:

Article

A comparative study of two chemical models for creating subsurface caries lesions on aprismatic and prismatic enamel.

Published in:

Journal of Oral Science, 2023, v. 65, n. 1, p. 20, doi. 10.2334/josnusd.22-0311

By:

Wong, Pamela Y. W.;
Suh Ling Lim;
Loi, Samuel T. Y.;
May Lei Mei;
Kai Chun Li;
Aziz, Shafiq;
Ekambaram, Manikandan;
Lim, Suh Ling;
Mei, May Lei;
Li, Kai Chun

Publication type:

Article

Spatio-Temporal Variations of Atmospheric NH3 over East Asia by Comparison of Chemical Transport Model Results, Satellite Retrievals and Surface Observations.

Published in:

Atmosphere, 2020, v. 11, n. 9, p. 900, doi. 10.3390/atmos11090900

By:

Wang, Zhe;
Uno, Itsushi;
Osada, Kazuo;
Itahashi, Syuichi;
Yumimoto, Keiya;
Chen, Xueshun;
Yang, Wenyi;
Wang, Zifa

Publication type:

Article

Vapor–liquid and chemical equilibria model for formaldehyde–trioxane–sulfuric acid–water mixtures.

Published in:

Journal of Chemical Technology & Biotechnology, 2020, v. 95, n. 3, p. 719, doi. 10.1002/jctb.6254

By:

Jiang, Siqi;
Zhang, Xianming;
Hu, Yufeng;
Yin, Liuyi;
Qi, Jianguang;
Ren, Chunxiao;
Mo, Shuqin

Publication type:

Article

Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions.

Published in:

Molecules, 2022, v. 27, n. 3, p. 1080, doi. 10.3390/molecules27031080

By:

Yang, Chao;
Zheng, Zhaolei

Publication type:

Article

Construction of Chemical Models of a Partially Ionized Atomic Plasma Based on Exact Asymptotic Expansions.

Published in:

Plasma Physics Reports, 2001, v. 27, n. 4, p. 347, doi. 10.1134/1.1364555

By:

Khomkin, A. L.;
Vorob’ev, V. S.;
Mulenko, I. A.;
Oleınikova, E. N.

Publication type:

Article

A Nonlinear Structure of a Chemical Reaction Model and Numerical Modeling with the New Aspect of Existence and Uniqueness.

Published in:

Mathematics (2227-7390), 2023, v. 11, n. 1, p. 37, doi. 10.3390/math11010037

By:

Shaikh, Tahira Sumbal;
Akgül, Ali;
Rehman, Muhammad Aziz-ur;
Ahmed, Nauman;
Iqbal, Muhammad Sajid;
Shahid, Naveed;
Rafiq, Muhammad;
De la Sen, Manuel

Publication type:

Article

Mathematical Model for Chemical Reactions in Electrolytes Applied to Cytochrome c Oxidase: An Electro-Osmotic Approach.

Published in:

Computation, 2023, v. 11, n. 12, p. 253, doi. 10.3390/computation11120253

By:

Xu, Shixin;
Eisenberg, Robert;
Song, Zilong;
Huang, Huaxiong

Publication type:

Article

Leveraging complementary computational models for prioritizing chemicals of developmental and reproductive toxicity concern: an example of food contact materials.

Published in:

Archives of Toxicology, 2020, v. 94, n. 2, p. 485, doi. 10.1007/s00204-019-02641-0

By:

Tung, Chun-Wei;
Cheng, Hsien-Jen;
Wang, Chia-Chi;
Wang, Shan-Shan;
Lin, Pinpin

Publication type:

Article

Establishment and verification of prediction models for evaluating the physical and chemical properties of soilless substrates.

Published in:

International Journal of Agricultural & Biological Engineering, 2021, v. 14, n. 2, p. 9, doi. 10.25165/j.ijabe.20211402.5815

By:

Binbin Gong;
Ning Wang;
Tiejun Zhang;
Shao Li;
Xiaolei Wu;
Jing Tian;
Jingrui Li;
Guiyun Lyu;
Hongbo Gao

Publication type:

Article

CHEEREIO 1.0: a versatile and user-friendly ensemble-based chemical data assimilation and emissions inversion platform for the GEOS-Chem chemical transport model.

Published in:

Geoscientific Model Development, 2023, v. 16, n. 16, p. 4793, doi. 10.5194/gmd-16-4793-2023

By:

Pendergrass, Drew C.;
Jacob, Daniel J.;
Nesser, Hannah;
Varon, Daniel J.;
Sulprizio, Melissa;
Miyazaki, Kazuyuki;
Bowman, Kevin W.

Publication type:

Article

Grid-independent high-resolution dust emissions (v1.0) for chemical transport models: application to GEOS-Chem (12.5.0).

Published in:

Geoscientific Model Development, 2021, v. 14, n. 7, p. 4249, doi. 10.5194/gmd-14-4249-2021

By:

Meng, Jun;
Martin, Randall V.;
Ginoux, Paul;
Hammer, Melanie;
Sulprizio, Melissa P.;
Ridley, David A.;
van Donkelaar, Aaron

Publication type:

Article

An adaptive method for speeding up the numerical integration of chemical mechanisms in atmospheric chemistry models: application to GEOS-Chem version 12.0.0.

Published in:

Geoscientific Model Development, 2020, v. 13, n. 5, p. 2475, doi. 10.5194/gmd-13-2475-2020

By:

Shen, Lu;
Jacob, Daniel J.;
Santillana, Mauricio;
Wang, Xuan;
Chen, Wei

Publication type:

Article

Improving the quality of chemical language model outcomes with atom-in-SMILES tokenization.

Published in:

Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00725-9

By:

Ucak, Umit V.;
Ashyrmamatov, Islambek;
Lee, Juyong

Publication type:

Article

A RELEASE MODEL CONSIDERING CHEMICAL LOSS FROM A DOUBLE-LAYER MATERIAL INTO FOOD.

Published in:

Thermal Science, 2020, v. 24, n. 4, p. 2419, doi. 10.2298/TSCI2004419H

By:

Xiu-Ling HUANG;
Jun WANG;
Xiao-Hui QU;
Chong-Xing HUANG;
YAM, Kit L.

Publication type:

Article

Efficient ensemble generation for uncertain correlated parameters in atmospheric chemical models.

Published in:

Geoscientific Model Development Discussions, 2021, p. 1, doi. 10.5194/gmd-2021-26

By:

Vogel, Annika;
Elbern, Hendrik

Publication type:

Article

Grid-independent High Resolution Dust Emissions (v1.0) for Chemical Transport Models: Application to GEOS-Chem (version 12.5.0).

Published in:

Geoscientific Model Development Discussions, 2020, p. 1, doi. 10.5194/gmd-2020-380

By:

Jun Meng;
Martin, Randall V.;
Ginoux, Paul;
Hammer, Melanie;
Sulprizio, Melissa P.;
Ridley, David A.;
van Donkelaar, Aaron

Publication type:

Article

An adaptive method for speeding up the numerical integration of chemical mechanisms in atmospheric chemistry models: application to GEOS-Chem version 12.0.0.

Published in:

Geoscientific Model Development Discussions, 2019, p. 1, doi. 10.5194/gmd-2019-279

By:

Lu Shen;
Jacob, Daniel J.;
Santillana, Mauricio;
Xuan Wang;
Wei Chen

Publication type:

Article

IMPROVING STRUCTURE BASED MODELS FOR PREDICTING CHEMICAL FUNCTIONS AND WEIGHT FRACTIONS IN COSMETIC PRODUCTS USING ENSEMBLE SUPPORT VECTOR MACHINE.

Published in:

Farmacia, 2022, v. 70, n. 2, p. 307, doi. 10.31925/farmacia.2022.2.17

By:

VOJINOVIC, TANJA;
KASCELAN, LJILJANA;
POTPARA, ZORICA;
RADONJIC, NATASA;
KASCELAN, ZORKA

Publication type:

Article

Proper Selection and Application of Mathematical Models for Estimating Occupational Exposure to Chemicals.

Published in:

Chemist, 2021, v. 92, n. 1, p. 95

By:

Kang Chen;
Martin, Linda F.

Publication type:

Article

Environmental Health Risk Evaluation Model for Coastal Chemical Industry.

Published in:

Journal of Healthcare Engineering, 2021, p. 1, doi. 10.1155/2021/6896929

By:

Zhao, Chen;
Zhang, Yongsheng;
Niu, Tong;
Ayana, Melkamu Teshome

Publication type:

Article

Toward a multivariate formulation of the parametric Kalman filter assimilation: application to a simplified chemical transport model.

Published in:

Nonlinear Processes in Geophysics, 2023, v. 30, n. 2, p. 139, doi. 10.5194/npg-30-139-2023

By:

Perrot, Antoine;
Pannekoucke, Olivier;
Guidard, Vincent

Publication type:

Article

A "User-Friendly" Three-Component Chemical Model of Nonideal Plasma.

Published in:

High Temperature, 2021, v. 59, n. 1, p. 1, doi. 10.1134/S0018151X21010089

By:

Khomkin, A. L.;
Shumikhin, A. S.

Publication type:

Article

Basic chemical models of nonideal atomic plasma.

Published in:

High Temperature, 2004, v. 42, n. 6, p. 842, doi. 10.1007/s10740-005-0026-3

By:

Khomkin, A.;
Mulenko, I.;
Shumikhin, A.

Publication type:

Article

基于机器学习算法的化学品肝毒性筛查模型.

Published in:

Asian Journals of Ecotoxicology, 2023, v. 18, n. 3, p. 22, doi. 10.7524/AJE.1673-5897.20230406002

By:

王孟含;
朱明华;
肖子君;
陈景文;
吴超

Publication type:

Article

Investigating Zonal Asymmetries in Stratospheric Ozone Trends From Satellite Limb Observations and a Chemical Transport Model.

Published in:

Journal of Geophysical Research. Atmospheres, 2024, v. 129, n. 8, p. 1, doi. 10.1029/2023JD040353

By:

Arosio, C.;
Chipperfield, M. P.;
Rozanov, A.;
Weber, M.;
Dhomse, S.;
Feng, W.;
Jaross, G.;
Zhou, X.;
Burrows, J. P.

Publication type:

Article