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There are 44714 results for: content related to: Lexicography of kinetic modeling of complex reaction networks

  1. Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges

    International Journal of Chemical Kinetics

    Volume 47, Issue 4, April 2015, Pages: 199–231, Ruben Van de Vijver, Nick M. Vandewiele, Pierre L. Bhoorasingh, Belinda L. Slakman, Fariba Seyedzadeh Khanshan, Hans-Heinrich Carstensen, Marie-Françoise Reyniers, Guy B. Marin, Richard H. West and Kevin M. Van Geem

    Version of Record online : 20 JAN 2015, DOI: 10.1002/kin.20902

  2. Rational Strategy for Designing Kinetic Models and Studying Complex Reaction Mechanisms

    Homogeneous Catalysis with Metal Complexes: Kinetic Aspects and Mechanisms

    O. N. Temkin, Pages: 665–739, 2012

    Published Online : 4 JAN 2012, DOI: 10.1002/9781119966227.ch7

  3. Engineering Biomass Conversion Processes: A Systems Perspective

    AIChE Journal

    Volume 59, Issue 1, January 2013, Pages: 3–18, Prodromos Daoutidis, W. Alex Marvin, Srinivas Rangarajan and Ana I. Torres

    Version of Record online : 6 DEC 2012, DOI: 10.1002/aic.13978

  4. Timescale analysis of rule-based biochemical reaction networks

    Biotechnology Progress

    Volume 28, Issue 1, January/February 2012, Pages: 33–44, David J. Klinke II and Stacey D. Finley

    Version of Record online : 26 SEP 2011, DOI: 10.1002/btpr.704

  5. Reaction network flux analysis: Optimization-based evaluation of reaction pathways for biorenewables processing

    AIChE Journal

    Volume 58, Issue 6, June 2012, Pages: 1788–1801, A. Voll and W. Marquardt

    Version of Record online : 4 AUG 2011, DOI: 10.1002/aic.12704

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    Computational framework for predictive biodegradation

    Biotechnology and Bioengineering

    Volume 104, Issue 6, 15 December 2009, Pages: 1086–1097, Stacey D. Finley, Linda J. Broadbelt and Vassily Hatzimanikatis

    Version of Record online : 31 JUL 2009, DOI: 10.1002/bit.22489

  7. Engineering approximations for activation energies in hydrogen transfer reactions

    AIChE Journal

    Volume 46, Issue 10, October 2000, Pages: 2041–2052, Paul Blowers and Rich Masel

    Version of Record online : 16 APR 2004, DOI: 10.1002/aic.690461015

  8. Kinetics of Homolytic Substitutions by Hydrogen Atoms at Thiols and Sulfides


    Volume 14, Issue 8, June 3, 2013, Pages: 1703–1722, Dr. Aäron G. Vandeputte, Prof. Dr. Marie-Françoise Reyniers and Prof. Dr. Guy B. Marin

    Version of Record online : 15 APR 2013, DOI: 10.1002/cphc.201201049

  9. Ab initio group contribution method for activation energies for radical additions

    AIChE Journal

    Volume 50, Issue 2, 10 February 2004, Pages: 426–444, Mark Saeys, Marie-Françoise Reyniers, Guy B. Marin, Veronique Van Speybroeck and Michel Waroquier

    Version of Record online : 18 FEB 2004, DOI: 10.1002/aic.10038

  10. Kinetics of Substituted Silylene Addition and Elimination in Silicon Nanocluster Growth Captured by Group Additivity


    Volume 11, Issue 9, June 21, 2010, Pages: 1978–1994, Andrew J. Adamczyk, Marie-Françoise Reyniers, Guy B. Marin and Linda J. Broadbelt

    Version of Record online : 14 JUN 2010, DOI: 10.1002/cphc.200900836

  11. Tree structure for intermolecular hydrogen abstraction from hydrocarbons (C/H) and generic rate constant rules for abstraction by vinyl radical

    International Journal of Chemical Kinetics

    Volume 44, Issue 5, May 2012, Pages: 327–349, Sumathy Raman and Hans-Heinrich Carstensen

    Version of Record online : 27 MAR 2012, DOI: 10.1002/kin.20718

  12. Group Additive Values for the Gas-Phase Standard Enthalpy of Formation, Entropy and Heat Capacity of Oxygenates

    Chemistry - A European Journal

    Volume 19, Issue 48, November 25, 2013, Pages: 16431–16452, Paschalis D. Paraskevas, Dr. Maarten K. Sabbe, Prof. Dr. Marie-Françoise Reyniers, Prof. Dr. Nikos Papayannakos and Prof. Dr. Guy B. Marin

    Version of Record online : 10 OCT 2013, DOI: 10.1002/chem.201301381

  13. First principle-based simulation of ethane steam cracking

    AIChE Journal

    Volume 57, Issue 2, February 2011, Pages: 482–496, Maarten K. Sabbe, Kevin M. Van Geem, Marie-Françoise Reyniers and Guy B. Marin

    Version of Record online : 5 APR 2010, DOI: 10.1002/aic.12269

  14. Stability of Complex Reaction Networks

    Advances in Chemical Physics, Volume 43

    I. Prigogine, Stuart A. Rice, Pages: 1–215, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470142622.ch1

  15. Automatic reaction network generation using RMG for steam cracking of n-hexane

    AIChE Journal

    Volume 52, Issue 2, February 2006, Pages: 718–730, Kevin M. Van Geem, Marie-Francoise Reyniers, Guy B. Marin, Jing Song, William H. Green and David M. Matheu

    Version of Record online : 12 OCT 2005, DOI: 10.1002/aic.10655

  16. Thermodynamically based constraints for rate coefficients of large biochemical networks

    Wiley Interdisciplinary Reviews: Systems Biology and Medicine

    Volume 1, Issue 3, November/December 2009, Pages: 348–358, Marcel O. Vlad and John Ross

    Version of Record online : 14 AUG 2009, DOI: 10.1002/wsbm.50

  17. Thermal stability of aliphatic-aromatic polyamide model compounds: Structure–reactivity relationships in the catalyzed thermal reaction of benzamides in the presence of copper halides

    Journal of Polymer Science Part A: Polymer Chemistry

    Volume 35, Issue 15, 15 November 1997, Pages: 3305–3322, Linda J. Broadbelt, Michael T. Klein, Barry D. Dean and Stephen M. Andrews

    Version of Record online : 21 JAN 2000, DOI: 10.1002/(SICI)1099-0518(19971115)35:15<3305::AID-POLA24>3.0.CO;2-E

  18. Ab Initio Group Contribution Method for Activation Energies of Hydrogen Abstraction Reactions


    Volume 7, Issue 1, January 16, 2006, Pages: 188–199, Mark Saeys, Marie-Françoise Reyniers, Veronique Van Speybroeck, Michel Waroquier and Guy B. Marin

    Version of Record online : 2 DEC 2005, DOI: 10.1002/cphc.200500206

  19. Kinetic Study of 1,5-Hydrogen Transfer Reactions of Methyl Acrylate and Butyl Acrylate Using Quantum Chemistry

    Macromolecular Theory and Simulations

    Volume 21, Issue 7, August 2012, Pages: 461–469, Xinrui Yu and Linda J. Broadbelt

    Version of Record online : 13 JUN 2012, DOI: 10.1002/mats.201200005

  20. Kinetic Modeling of Hydrogen Abstractions Involving Sulfur Radicals


    Volume 14, Issue 16, November 11, 2013, Pages: 3751–3771, Dr. Aäron G. Vandeputte, Prof. Dr. Marie-Françoise Reyniers and Prof. Dr. Guy B. Marin

    Version of Record online : 31 OCT 2013, DOI: 10.1002/cphc.201300661