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Статті в журналах з теми "Computational Reaction Kinetics"
Christophorov, L. N. "Indirect Evidences of Conformational Regulation in Protein Reactions: How Much Can Be Learnt?" Ukrainian Journal of Physics 57, no. 7 (July 30, 2012): 746. http://dx.doi.org/10.15407/ujpe57.7.746.
Повний текст джерелаKönig, Matthias. "cy3sabiork: A Cytoscape app for visualizing kinetic data from SABIO-RK." F1000Research 5 (July 18, 2016): 1736. http://dx.doi.org/10.12688/f1000research.9211.1.
Повний текст джерелаMenshutina, Natalia V., Igor V. Lebedev, Evgeniy A. Lebedev, Ratmir R. Dashkin, Mikhail V. Shishanov, and Maxim L. Burdeyniy. "STUDY AND MODELING 4,4'-DIAMINODIPHENYLMETHANE SYNTHESIS." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 64, no. 4 (April 11, 2021): 100–103. http://dx.doi.org/10.6060/ivkkt.20216404.6314.
Повний текст джерелаRosero Chicaíza, David Camilo, and Bibian A. Hoyos. "Reaction kinetic parameters for a distributed model of transport and reaction in Pd/Rh/CeZrO three-way catalytic converters." DYNA 86, no. 210 (July 1, 2019): 216–23. http://dx.doi.org/10.15446/dyna.v86n210.78596.
Повний текст джерелаMenshutina, Natalia, Igor Lebedev, Evgeniy Lebedev, Andrey Kolnoochenko, Alexander Troyankin, Ratmir Dashkin, Michael Shishanov, Pavel Flegontov, and Maxim Burdeyniy. "Complex Modelling and Design of Catalytic Reactors Using Multiscale Approach—Part 2: Catalytic Reactions Modelling with Cellular Automata Approach." Computation 8, no. 4 (October 10, 2020): 87. http://dx.doi.org/10.3390/computation8040087.
Повний текст джерелаKe, Wei, Guang-Jin Chen, and Daoyi Chen. "Methane–propane hydrate formation and memory effect study with a reaction kinetics model." Progress in Reaction Kinetics and Mechanism 45 (January 2020): 146867832090162. http://dx.doi.org/10.1177/1468678320901622.
Повний текст джерелаYen, Shih-Wei, Wei-Hsin Chen, Jo-Shu Chang, Chun-Fong Eng, Salman Raza Naqvi, and Pau Loke Show. "Torrefaction Thermogravimetric Analysis and Kinetics of Sorghum Distilled Residue for Sustainable Fuel Production." Sustainability 13, no. 8 (April 11, 2021): 4246. http://dx.doi.org/10.3390/su13084246.
Повний текст джерелаHuang, Sijia, Kangmin Kim, Grant M. Musgrave, Marcus Sharp, Jasmine Sinha, Jeffrey W. Stansbury, Charles B. Musgrave, and Christopher N. Bowman. "Determining Michael acceptor reactivity from kinetic, mechanistic, and computational analysis for the base-catalyzed thiol-Michael reaction." Polymer Chemistry 12, no. 25 (2021): 3619–28. http://dx.doi.org/10.1039/d1py00363a.
Повний текст джерелаVarela, J. A., S. A. Vázquez, and E. Martínez-Núñez. "An automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis." Chemical Science 8, no. 5 (2017): 3843–51. http://dx.doi.org/10.1039/c7sc00549k.
Повний текст джерелаGajewska, Magdalena, and Katarzyna Skrzypiec. "Kinetics of nitrogen removal processes in constructed wetlands." E3S Web of Conferences 26 (2018): 00001. http://dx.doi.org/10.1051/e3sconf/20182600001.
Повний текст джерелаДисертації з теми "Computational Reaction Kinetics"
Calderini, Danilo. "Kinetics and dynamics for chemical reactions in gas phase." Doctoral thesis, Scuola Normale Superiore, 2016. http://hdl.handle.net/11384/85818.
Повний текст джерелаRogge, Torben. "Experimental and Computational Studies on Ruthenium- and Manganese-Catalyzed C-H and C-C Activation." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2019. http://hdl.handle.net/21.11130/00-1735-0000-0005-1298-B.
Повний текст джерелаZhang, Jie. "Numerical Simulation of Flow in Ozonation Process." Scholar Commons, 2014. https://scholarcommons.usf.edu/etd/5161.
Повний текст джерелаAdhikari, Sudip. "Accelerating the Computation of Chemical Reaction Kinetics for Modeling Turbulent Reacting Flows." University of Akron / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=akron1510259399348102.
Повний текст джерелаCarruthers, Chris. "Kinetics of bimolecular exchange reactions: A computational approach." Thesis, University of Ottawa (Canada), 1992. http://hdl.handle.net/10393/7503.
Повний текст джерелаGaidamauskaitė, Evelina. "Computational Modeling of Complex Reactions Kinetics in Biosensors." Doctoral thesis, Lithuanian Academic Libraries Network (LABT), 2011. http://vddb.laba.lt/obj/LT-eLABa-0001:E.02~2011~D_20111122_102523-68545.
Повний текст джерелаBiojutikliai yra analitiniai įtaisai sudaryti iš biologiškai aktyvios bei selektyviai atpažįstančios substratą medžiagos, dažniausiai fermento, ir keitiklio formuojančio makroskopinį fizinį signalą. Naujų įtaisų kūrimui būtini lygiagretūs eksperimentiniai tyrimai. Skaitiniai eksperimentai gali patikimai pakeisti fizinius. Modeliuojant tokius biojutiklius, būtina atsižvelgti į juose vykstančių procesų daugiapakopį pobūdį. Šiame darbe nuodugniai ištirtos tokių reakcijų schemų savybės. Sudaryti originalūs matematiniai modeliai optiniam peroksidaziniam bei amperometriniam lakaziniam daugiapakopiams biojutikliams. Deterministinė modelių sudarymo proceso prigimtis leidžia jį automatizuoti. Remiantis šiuo principu sukurtas bendras įrankis kompiuteriniam daugiapakopių biojutiklių modeliavimui. Siekiant optimizuoti skaitinį sprendimą palygintos dažniausiai naudojamos baigtinių skirtumų skaitinio sprendimo schemos sprendžiant reakcijos - difuzijos lygtis. Pastarasis palyginimas parodė, kad greičiausiai reikiamas sprendinio tikslumas pasiekiamas taikant neišreikštinę bei Hopscotch schemas. Uždaviniams, kuriems sparta svarbesnė už tikslumą, turėtų būti taikoma išreikštinė schema. Taikant naują įrankį atliktas kompiuterinis daugiapakopių biojutiklių modeliavimas. Kompiuterinis lakazinio biojutiklio modeliavimas teoriškai paaiškino eksperimentiškai stebėtą sinergetinę mediatoriaus įtaką biojutiklio atsakui. Peroksidazinio biojutiklio kompiuterinio modeliavimo rezultatai parodė, kad plataus... [toliau žr. visą tekstą]
Remmert, Sarah M. "Reduced dimensionality quantum dynamics of chemical reactions." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:7f96405f-105c-4ca3-9b8a-06f77d84606a.
Повний текст джерелаAlecu, Ionut M. "Kinetic studies and computational modeling of atomic chlorine reactions in the gas phase." Thesis, University of North Texas, 2009. https://digital.library.unt.edu/ark:/67531/metadc12071/.
Повний текст джерелаAlecu, Ionut M. Marshall Paul. "Kinetic studies and computational modeling of atomic chlorine reactions in the gas phase." [Denton, Tex.] : University of North Texas, 2009. http://digital.library.unt.edu/ark:/67531/metadc12071.
Повний текст джерелаLUPI, Jacopo. "Computational strategies for the accurate thermochemistry and kinetics of gas-phase reactions." Doctoral thesis, Scuola Normale Superiore, 2022. https://hdl.handle.net/11384/125743.
Повний текст джерелаКниги з теми "Computational Reaction Kinetics"
Molecular heterogeneous catalysis: A conceptual and computational approach. Weinheim: Wiley-VCH, 2003.
Знайти повний текст джерелаEuropean School on Computational Chemistry (1999 Perugia, Italy). Reaction and molecular dynamics: Proceedings of the European School on Computational Chemistry, Perugia, Italy, July (1999). Berlin: Springer, 2000.
Знайти повний текст джерелаRadhakrishnan, Krishnan. LSENS: The NASA Lewis kinetics and sensitivity analysis code. [Washington, D.C: National Aeronautics and Space Administration, Scientific and Technical Information Program Office ; aHanover, Md., 2000.
Знайти повний текст джерелаA, Bittker David, and United States. National Aeronautics and Space Administration. Scientific and Technical Information Program., eds. LSENS: A general chemical kinetics and sensitivity analysis code for homogeneous gas-phase reactions. [Washington, DC]: National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1994.
Знайти повний текст джерелаCenter, Ames Research, and Eloret Institute, eds. Computed potential energy surfaces for chemical reactions: Final technical report for cooperative agreement NCC2-478 for the funding period July 1, 1987 - January 31, 1994. Moffett Field, Calif: The Center, 1994.
Знайти повний текст джерелаEugene, Levin, and United States. National Aeronautics and Space Administration., eds. Computed potential energy surfaces for chemical reactions: Periodic research report for the period, January 1, 1993 - August 31, 1993 for cooperative agreement NCC2-478. [Washington, D.C: National Aeronautics and Space Administration, 1993.
Знайти повний текст джерелаUnited States. National Aeronautics and Space Administration., ed. Computed potential energy surfaces for chemical reactions: Semi-annual report for the period Jaunary 1, 1992 - June 30, 1992 ... Sunnyvale, CA: Eloret Institute, 1992.
Знайти повний текст джерелаEugene, Levin, and United States. National Aeronautics and Space Administration., eds. Computed potential energy surfaces for chemical reactions: Periodic research report for the period, January 1, 1993 - August 31, 1993 for cooperative agreement NCC2-478. [Washington, D.C: National Aeronautics and Space Administration, 1993.
Знайти повний текст джерелаUnited States. National Aeronautics and Space Administration, ed. Computed potential energy surfaces for chemical reactions: Semi-annual report for cooperative agreement NCC2-478 for the period January 1, 1988-June 30, 1988. Sunnyvale, CA: The Institute, 1988.
Знайти повний текст джерелаCenter, Ames Research, and Eloret Institute, eds. Computed potential energy surfaces for chemical reactions: Final technical report for cooperative agreement NCC2-478 for the funding period July 1, 1987 - January 31, 1994. Moffett Field, Calif: The Center, 1994.
Знайти повний текст джерелаЧастини книг з теми "Computational Reaction Kinetics"
Winkelmann, Stefanie, and Christof Schütte. "Well-Mixed Stochastic Reaction Kinetics." In Stochastic Dynamics in Computational Biology, 1–36. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-62387-6_1.
Повний текст джерелаGoddard, William A. "Extracting Reaction Kinetics for Complex Reaction Systems." In Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile, 1097–108. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-18778-1_49.
Повний текст джерелаKosenkov, Dmytro, Yana Kholod, Leonid Gorb, and Jerzy Leszczynski. "Evaluation of Proton Transfer in DNA Constituents: Development and Application of Ab Initio Based Reaction Kinetics." In Challenges and Advances in Computational Chemistry and Physics, 187–211. Dordrecht: Springer Netherlands, 2010. http://dx.doi.org/10.1007/978-90-481-3034-4_7.
Повний текст джерелаSayikli, Cigdem, and Elife Zerrin Bagci. "Limitations of Using Mass Action Kinetics Method in Modeling Biochemical Systems: Illustration for a Second Order Reaction." In Computational Science and Its Applications - ICCSA 2011, 521–26. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-21934-4_42.
Повний текст джерелаRosi, Marzio, Dimitrios Skouteris, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, and Cecilia Ceccarelli. "Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions." In Computational Science and Its Applications – ICCSA 2019, 306–15. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-24302-9_22.
Повний текст джерелаKubicki, James D., and Kevin M. Rosso. "Geochemical Kinetics via Computational Chemistry." In Molecular Modeling of Geochemical Reactions, 375–414. Chichester, UK: John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118845226.ch11.
Повний текст джерелаCoutinho, Nayara D., Valter H. Carvalho-Silva, Heibbe C. B. de Oliveira, and Vincenzo Aquilanti. "The $$ {\mathbf{HI}}\,\varvec{ + }\,{\mathbf{OH}}\, \to \,{\mathbf{H}}_{{\mathbf{2}}} {\mathbf{O}}\, + \,{\mathbf{I}} $$ HI + OH → H 2 O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics." In Computational Science and Its Applications – ICCSA 2017, 297–313. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-62404-4_22.
Повний текст джерелаCossío, Fernando P. "Calculation of Kinetic Data Using Computational Methods." In Rate Constant Calculation for Thermal Reactions, 33–65. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118166123.ch2.
Повний текст джерелаDorning, Jack. "Nuclear Reactor Kinetics: 1934–1999 and Beyond." In Nuclear Computational Science, 375–457. Dordrecht: Springer Netherlands, 2009. http://dx.doi.org/10.1007/978-90-481-3411-3_8.
Повний текст джерелаHuidobro, J. A., I. Iglesias, B. F. Alfonso, C. Trobajo, and J. R. Garcia. "Modeling Chemical Kinetics in Solid State Reactions." In Computational Mathematics, Numerical Analysis and Applications, 229–33. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-49631-3_11.
Повний текст джерелаТези доповідей конференцій з теми "Computational Reaction Kinetics"
Mirzaee Kakhki, Iman, Majid Charmchi, and Hongwei Sun. "Computational Investigation of Gallium Nitrite Ammonothermal Crystal Growth." In ASME 2013 Heat Transfer Summer Conference collocated with the ASME 2013 7th International Conference on Energy Sustainability and the ASME 2013 11th International Conference on Fuel Cell Science, Engineering and Technology. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/ht2013-17506.
Повний текст джерелаChang, S. L., S. A. Lottes, C. Q. Zhou, and M. Petrick. "A Hybrid Technique for Coupling Chemical Kinetics and Hydrodynamics Computations in Multi-Phase Reacting Flow Systems." In ASME 1997 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1997. http://dx.doi.org/10.1115/imece1997-0877.
Повний текст джерелаKapoor, Rajat, and Suresh Menon. "Computational Issues for Simulating Finite-Rate Kinetics in LES." In ASME Turbo Expo 2002: Power for Land, Sea, and Air. ASMEDC, 2002. http://dx.doi.org/10.1115/gt2002-30608.
Повний текст джерелаRubin, Rachamim, Jacob Karni, and Jacob Yeheskel. "Chemical Kinetics Simulation of High Temperature Hydrocarbons Reforming in a Solar Reactor." In ASME 2003 International Solar Energy Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/isec2003-44032.
Повний текст джерелаRaji, K., and C. B. Sobhan. "A Computational Model for Predicting the Temperature Distribution Inside a CVD Reactor for Carbon Nanotube Synthesis." In ASME 2013 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/imece2013-64256.
Повний текст джерелаGkantonas, Savvas, Sandeep Jella, Salvatore Iavarone, Philippe Versailles, Epaminondas Mastorakos, and Gilles Bourque. "Estimation of Autoignition Propensity in Aeroderivative Gas Turbine Premixers Using Incompletely Stirred Reactor Network Modelling." In ASME Turbo Expo 2022: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/gt2022-79904.
Повний текст джерелаPark, Ji-Woong, Yuanjiang Pei, Yu Zhang, Anqi Zhang, and Sibendu Som. "Optimizing Hydrogen Kinetics for Zero-Carbon Emission Transport Technologies." In International Petroleum Technology Conference. IPTC, 2022. http://dx.doi.org/10.2523/iptc-22395-ms.
Повний текст джерелаOpris, Cornelius N., and John H. Johnson. "A 2-D Computational Model Describing the Heat Transfer, Reaction Kinetics and Regeneration Characteristics of a Ceramic Diesel Particulate Trap." In International Congress & Exposition. 400 Commonwealth Drive, Warrendale, PA, United States: SAE International, 1998. http://dx.doi.org/10.4271/980546.
Повний текст джерелаGoudy, Sean, S. O. Bade Shrestha, and Iskender Sahin. "1-D Computational Model of a PEM Fuel Cell Using Reaction Rate Law Kinetics to Model the Consumption of Hydrogen at the Anode." In ASME 2008 6th International Conference on Fuel Cell Science, Engineering and Technology. ASMEDC, 2008. http://dx.doi.org/10.1115/fuelcell2008-65118.
Повний текст джерелаN’dri, Narcisse, Wei Shyy, Roger Tran-Son-Tay, and H. S. Udaykumar. "A Multi-Scale Model for Cell Adhesion and Deformation." In ASME 2000 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2000. http://dx.doi.org/10.1115/imece2000-2069.
Повний текст джерелаЗвіти організацій з теми "Computational Reaction Kinetics"
Battaglia, Francine, Foster Agblevor, Michael Klein, and Reza Sheikhi. Investigation of Coal-biomass Catalytic Gasification using Experiments, Reaction Kinetics and Computational Fluid Dynamics. Office of Scientific and Technical Information (OSTI), December 2015. http://dx.doi.org/10.2172/1329004.
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