Year |
Citation |
Score |
2020 |
Abo-Ghander NS, Klein MT. Delplot-compliant data: molecular observables vs. reaction intermediates Energy & Fuels. DOI: 10.1021/Acs.Energyfuels.0C02465 |
0.422 |
|
2019 |
Alasiri H, Klein MT. Solvent Effects for the Hydrolysis Reaction of Dibenzyl ether in Supercritical Water: A Combined Density Functional Theory and Molecular Dynamics Simulation Study Energy & Fuels. 33: 12685-12689. DOI: 10.1021/Acs.Energyfuels.9B03138 |
0.386 |
|
2019 |
Agarwal P, Klein MT. Generating Data-Driven Models from Molecular-Level Kinetic Models: A Kinetic Model Speedup Strategy Energy & Fuels. 33: 10372-10379. DOI: 10.1021/Acs.Energyfuels.9B02250 |
0.58 |
|
2019 |
Agarwal P, Sahasrabudhe M, Khandalkar S, Saravanan C, Klein MT. Molecular-Level Kinetic Modeling of a Real Vacuum Gas Oil Hydroprocessing Refinery System Energy & Fuels. 33: 10143-10158. DOI: 10.1021/Acs.Energyfuels.9B02228 |
0.625 |
|
2019 |
Agarwal P, Al-Khattaf SS, Klein MT. Molecular-Level Kinetic Modeling of Triglyceride Hydroprocessing Energy & Fuels. 33: 7377-7384. DOI: 10.1021/Acs.Energyfuels.9B01309 |
0.647 |
|
2019 |
Aitani A, Akhtar MN, Al-Khattaf S, Jin Y, Koseoglo O, Klein MT. Catalytic Upgrading of Light Naphtha to Gasoline Blending Components: A Mini Review Energy & Fuels. 33: 3828-3843. DOI: 10.1021/Acs.Energyfuels.9B00704 |
0.301 |
|
2019 |
Tanimu G, Al-Khattaf SS, Klein MT. Elucidation of the Reaction Network for the Oxidative Dehydrogenation of Butane to Butadiene Energy & Fuels. 33: 1473-1478. DOI: 10.1021/Acs.Energyfuels.8B04125 |
0.377 |
|
2019 |
Abo-Ghander NS, Klein MT. Influence of Reaction Reversibility on the Interpretation of Delplots of the Parallel-Series Reaction Network Energy & Fuels. 33: 1444-1449. DOI: 10.1021/Acs.Energyfuels.8B03649 |
0.346 |
|
2018 |
Siepmann JI, Brennecke JF, Allen DT, Klein MT, Savage PE, Schatz GC, Winnik FM. ACS Virtual Issue on Multicomponent Systems: Absorption, Adsorption, and Diffusion Journal of Chemical & Engineering Data. 63: 3651-3651. DOI: 10.1021/Acs.Jced.8B00842 |
0.425 |
|
2018 |
Abo-Ghander NS, Klein MT. Influence of Reaction Temperature on the Interpretation of Delplots for the Parallel-Series Reaction Network Energy & Fuels. 32: 10904-10909. DOI: 10.1021/Acs.Energyfuels.8B02689 |
0.399 |
|
2018 |
Evenepoel N, Agarwal P, Klein MT. Molecular-Level Kinetic Modeling of Lube Base Oil Hydroisomerization Energy & Fuels. 32: 9804-9812. DOI: 10.1021/Acs.Energyfuels.8B02266 |
0.64 |
|
2018 |
Cui C, Zhang L, Ma Y, Billa T, Hou Z, Shi Q, Zhao S, Xu C, Klein MT. Computer-Aided Gasoline Compositional Model Development Based on GC-FID Analysis Energy & Fuels. 32: 8366-8373. DOI: 10.1021/Acs.Energyfuels.8B01953 |
0.576 |
|
2018 |
Alasiri H, Klein MT. Density Functional Theory Probe of the Hydrolysis of Heavy Hydrocarbon Structural Moieties in Supercritical Water Energy & Fuels. 32: 8700-8704. DOI: 10.1021/Acs.Energyfuels.8B01852 |
0.332 |
|
2018 |
Zhou X, Hou Z, Wang J, Fang W, Ma A, Guo J, Klein MT. Molecular-Level Kinetic Model for C12 Continuous Catalytic Reforming Energy & Fuels. 32: 7078-7085. DOI: 10.1021/Acs.Energyfuels.8B00950 |
0.57 |
|
2018 |
Abo-Ghander NS, Klein MT. Extension of the Delplot Analysis for Experiments with Non-zero Initial Product Concentrations Energy & Fuels. 32: 6234-6238. DOI: 10.1021/Acs.Energyfuels.8B00859 |
0.367 |
|
2018 |
Agarwal P, Evenepoel N, Al-Khattaf SSF, Klein MT. Molecular-Level Kinetic Modeling of Methyl Laurate: The Intrinsic Kinetics of Triglyceride Hydroprocessing Energy & Fuels. 32: 5264-5270. DOI: 10.1021/Acs.Energyfuels.8B00647 |
0.646 |
|
2018 |
Deniz CU, Yasar SHO, Yasar M, Klein MT. Effect of Boiling Point and Density Prediction Methods on Stochastic Reconstruction Energy & Fuels. 32: 3344-3355. DOI: 10.1021/Acs.Energyfuels.8B00018 |
0.617 |
|
2018 |
Cui C, Billa T, Zhang L, Shi Q, Zhao S, Klein MT, Xu C. Molecular Representation of the Petroleum Gasoline Fraction Energy & Fuels. 32: 1525-1533. DOI: 10.1021/Acs.Energyfuels.7B03588 |
0.351 |
|
2017 |
Deniz CU, Yasar M, Klein MT. Stochastic Reconstruction of Complex Heavy Oil Molecules Using an Artificial Neural Network Energy & Fuels. 31: 11932-11938. DOI: 10.1021/Acs.Energyfuels.7B02311 |
0.628 |
|
2017 |
He S, Lucio-Vega J, Zhang L, Shi Q, Horton SR, Al-Khattaf S, Al-Jundi I, Elmutasim O, Zhao S, Klein MT. Integrating Visualization Methods with Chemical Kinetics Model Solution and Editing Tools Energy & Fuels. 31: 9881-9889. DOI: 10.1021/Acs.Energyfuels.7B01202 |
0.788 |
|
2017 |
Deniz CU, Yasar M, Klein MT. A New Extended Structural Parameter Set for Stochastic Molecular Reconstruction: Application to Asphaltenes Energy & Fuels. 31: 7919-7931. DOI: 10.1021/Acs.Energyfuels.7B01006 |
0.67 |
|
2017 |
Billa T, Horton SR, Sahasrabudhe M, Saravanan C, Hou Z, Agarwal P, Lucio-Vega J, Klein MT. Enhancing the value of detailed kinetic models through the development of interrogative software applications Computers & Chemical Engineering. 106: 512-528. DOI: 10.1016/J.Compchemeng.2017.07.009 |
0.792 |
|
2016 |
Virk PS, Klein MT. Frontier Orbital Interpretation of Gas Release Pathways in Lignin Thermolysis Energy & Fuels. 30: 8043-8046. DOI: 10.1021/Acs.Energyfuels.6B01327 |
0.631 |
|
2016 |
Horton SR, Zhang Y, Mohr R, Petrocelli F, Klein MT. Implementation of a Molecular-Level Kinetic Model for Plasma-Arc Municipal Solid Waste Gasification Energy & Fuels. 30: 7904-7915. DOI: 10.1021/Acs.Energyfuels.6B00899 |
0.79 |
|
2016 |
Horton SR, Woeckener J, Mohr R, Zhang Y, Petrocelli F, Klein MT. Molecular-Level Kinetic Modeling of the Gasification of Common Plastics Energy and Fuels. 30: 1662-1674. DOI: 10.1021/Acs.Energyfuels.5B02047 |
0.782 |
|
2016 |
Horton SR, Mohr RJ, Zhang Y, Petrocelli FP, Klein MT. Molecular-Level Kinetic Modeling of Biomass Gasification Energy and Fuels. 30: 1647-1661. DOI: 10.1021/Acs.Energyfuels.5B01988 |
0.798 |
|
2015 |
Chiu LW, Desai J, Shanti C, Rane S, Agarwal P, Thomas RL, Klein M, Chouthai NS. SNAPPE II Score As a Predictor of Survival in Neonates with Congenital Diaphragmatic Hernia: A Single Center Experience. European Journal of Pediatric Surgery : Official Journal of Austrian Association of Pediatric Surgery ... [Et Al] = Zeitschrift Fur Kinderchirurgie. PMID 26267235 DOI: 10.1055/S-0035-1554103 |
0.378 |
|
2015 |
Horton SR, Zhang L, Hou Z, Bennett CA, Klein MT, Zhao S. Molecular-level kinetic modeling of resid pyrolysis Industrial and Engineering Chemistry Research. 54: 4226-4235. DOI: 10.1021/Ie5041572 |
0.834 |
|
2014 |
Moreno BM, Quach AL, Merves MN, Klein MT. Discrimination between free-radical and concerted pyrolysis mechanisms Energy and Fuels. 28: 4256-4259. DOI: 10.1021/Ef500055A |
0.785 |
|
2014 |
Zhang L, Hou Z, Horton SR, Klein MT, Shi Q, Zhao S, Xu C. Molecular representation of petroleum vacuum resid Energy and Fuels. 28: 1736-1749. DOI: 10.1021/Ef402081X |
0.77 |
|
2014 |
Horton SR, Klein MT. Reaction and catalyst families in the modeling of coal and biomass hydroprocessing kinetics Energy and Fuels. 28: 37-40. DOI: 10.1021/Ef401582C |
0.747 |
|
2013 |
Moreno BM, Li N, Lee J, Huber GW, Klein MT. Modeling aqueous-phase hydrodeoxygenation of sorbitol over Pt/SiO 2-Al2O3 Rsc Advances. 3: 23769-23784. DOI: 10.1039/C3Ra45179H |
0.816 |
|
2013 |
Alvarez YE, Moreno BM, Klein MT, Watson JK, Castro-Marcano F, Mathews JP. Novel simplification approach for large-scale structural models of coal: Three-dimensional molecules to two-dimensional lattices. Part 3: Reactive lattice simulations Energy and Fuels. 27: 2915-2922. DOI: 10.1021/ef4001105 |
0.776 |
|
2013 |
Horton SR, Hou Z, Moreno BM, Bennett CA, Klein MT. Molecule-based modeling of heavy oil Science China Chemistry. 56: 840-847. DOI: 10.1007/S11426-013-4895-8 |
0.803 |
|
2013 |
Horton SR, Bennett CA, Klein MT, Zhang Y, Petrocelli FP. Molecular-level modeling of municipal solid waste gasification Liaison Functions 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 115-116. |
0.783 |
|
2013 |
Moreno BM, Klein MT. Modeling biomass-to-fuels processing Forest and Plant Bioproducts Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 3. |
0.785 |
|
2013 |
Bennett CA, Hou Z, Zhang L, Klein MT. Toward transitive closure in refinery-wide modeling: Atomically explicit kinetics models Computational Molecular Science and Engineering Forum 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 141. |
0.666 |
|
2013 |
Horton SR, Bennett CA, Klein MT, Zhang Y, Petrocelli FP. Molecular-level modeling of municipal solid waste gasification Liaison Functions 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 115-116. |
0.783 |
|
2013 |
Moreno BM, Klein MT. Modeling biomass-to-fuels processing Forest and Plant Bioproducts Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 3. |
0.785 |
|
2012 |
Lamarca C, Moreno BM, Klein MT. Characteristics of optimal chain transfer solvents for pyrolysis kinetics Energy and Fuels. 26: 55-57. DOI: 10.1021/Ef2011832 |
0.758 |
|
2012 |
Klein MT, Hou Z, Bennett C. Reaction network elucidation: Interpreting delplots for mixed generation products Energy and Fuels. 26: 52-54. DOI: 10.1021/Ef2011723 |
0.708 |
|
2012 |
Bennett CA, Klein MT. Using mechanistically informed pathways to control the automated growth of reaction networks Energy and Fuels. 26: 41-51. DOI: 10.1021/Ef201136Z |
0.651 |
|
2012 |
Horton SR, Zhang Y, Bennett CA, Petrocelli FP, Klein MT. Automating molecular modeling of gasification with the kinetic modelers toolbox Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings. |
0.808 |
|
2011 |
Pyl SP, Hou Z, Van Geem KM, Reyniers MF, Marin GB, Klein MT. Modeling the composition of crude oil fractions using constrained homologous series Industrial and Engineering Chemistry Research. 50: 10850-10858. DOI: 10.1021/Ie200583T |
0.51 |
|
2011 |
Hou Z, Pyl SP, Bennett C, Moreno B, Klein MT. Automation of composition modeling for complex petroleum hydrocarbons by homologous series 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings. |
0.776 |
|
2011 |
Klein MT, Moreno B, Bennett C. Tools for molecule-based modeling of biomass structure and reaction Acs National Meeting Book of Abstracts. |
0.819 |
|
2010 |
Hou Z, Bennett CA, Klein MT, Virk PS. Approaches and software tools for modeling lignin pyrolysis Energy and Fuels. 24: 58-67. DOI: 10.1021/Ef900488K |
0.814 |
|
2009 |
Campbell DM, Bennett C, Hou Z, Klein MT. Attribute-based modeling of resid structure and reaction Industrial and Engineering Chemistry Research. 48: 1683-1693. DOI: 10.1021/Ie8012314 |
0.751 |
|
2008 |
Klein MT, Virk PS. Modeling of lignin thermolysis Energy and Fuels. 22: 2175-2182. DOI: 10.1021/Ef800285F |
0.694 |
|
2008 |
Wei W, Bennett CA, Tanaka R, Hou G, Klein MT. Computer aided kinetic modeling with KMT and KME Fuel Processing Technology. 89: 350-363. DOI: 10.1016/J.Fuproc.2007.11.015 |
0.755 |
|
2008 |
Wei W, Bennett CA, Tanaka R, Hou G, Klein MT. Detailed kinetic models for catalytic reforming Fuel Processing Technology. 89: 344-349. DOI: 10.1016/J.Fuproc.2007.11.014 |
0.751 |
|
2008 |
Klein MT, Bennett C, Hou Z. Molecule-based modeling of petroleum resids: Matthew neurock's linking of quantum chemistry and global petroleum fractions Aiche 100 - 2008 Aiche Annual Meeting, Conference Proceedings. |
0.44 |
|
2008 |
Bennett CA, Hou Z, Klein MT. User controlled kinetic network generation with ingen Aiche Annual Meeting, Conference Proceedings. |
0.618 |
|
2008 |
Bennett CA, Hou Z, Klein MT. User controlled kinetic network generation with ingen Aiche Annual Meeting, Conference Proceedings. |
0.618 |
|
2006 |
Tanaka R, Bennett CA, Wei W, Hou G, Klein MT. Molecular based kinetic modeling of FCC process 2006 Aiche Spring Annual Meeting. |
0.622 |
|
2006 |
Tanaka R, Bennett C, Hou Z, Jones M, Klein MT, Hou G. Molecule-based kinetic modeling of naphtha hydrotreating Acs National Meeting Book of Abstracts. 232. |
0.69 |
|
2006 |
Tanaka R, Bennett CA, Wei W, Hou G, Klein MT. Molecular based kinetic modeling of FCC process 2006 Aiche Spring Annual Meeting. |
0.622 |
|
2005 |
Tanaka R, Bennett CA, Klein MT. Molecular based kinetic modeling of HDS-FCC process Aiche Annual Meeting, Conference Proceedings. 10038. |
0.617 |
|
2002 |
Klein MT, Hou G, Quann RJ, Wei W, Liao KH, Yang RS, Campain JA, Mazurek MA, Broadbelt LJ. BioMOL: a computer-assisted biological modeling tool for complex chemical mixtures and biological processes at the molecular level. Environmental Health Perspectives. 110: 1025-9. PMID 12634134 DOI: 10.1289/Ehp.02110S61025 |
0.724 |
|
2002 |
Liao KH, Dobrev ID, Dennison JE, Andersen ME, Reisfeld B, Reardon KF, Campain JA, Wei W, Klein MT, Quann RJ, Yang RS. Application of biologically based computer modeling to simple or complex mixtures. Environmental Health Perspectives. 110: 957-63. PMID 12634125 DOI: 10.1289/Ehp.02110S6957 |
0.415 |
|
2002 |
Klein MT. Kinetics of Homogeneous Multistep Reactions: F.G. Helfferich (Ed.), Elsevier, Amsterdam/New York, 426 pp., price: US$ 244, ISBN: 0444826968 Chemical Engineering Journal. 88: 263. DOI: 10.1016/S1385-8947(02)00040-2 |
0.304 |
|
2001 |
Yasar M, Trauth DM, Klein MT. Asphaltene and resid pyrolysis. 2. The effect of reaction environment on pathways and selectivities Energy and Fuels. 15: 504-509. DOI: 10.1021/Ef0000577 |
0.699 |
|
2000 |
Neurock M, Klein MT. Chapter 4 Monte Carlo Simulation of Asphaltene Structure, Reactivity and Reaction Pathways Developments in Petroleum Science. 40: 59-102. DOI: 10.1016/S0376-7361(09)70275-4 |
0.603 |
|
1999 |
Izzo B, Klein MT, LaMarca C, Scrivner NC. Hydrothermal reaction of saturated and unsaturated nitriles: Reactivity and reaction pathway analysis Industrial and Engineering Chemistry Research. 38: 1183-1191. DOI: 10.1021/Ie9803218 |
0.405 |
|
1999 |
Joshi PV, Kumar A, Mizan TI, Klein MT. Detailed kinetic models in the context of reactor analysis: Linking mechanistic and process chemistry Energy and Fuels. 13: 1135-1144. DOI: 10.1021/Ef990021I |
0.552 |
|
1999 |
Joshi PV, Freund H, Klein MT. Directed kinetic model building: Seeding as a model reduction tool Energy and Fuels. 13: 877-880. DOI: 10.1021/Ef980259R |
0.482 |
|
1999 |
Mizan TI, Klein MT. Computer-assisted mechanistic modeling of n-hexadecane hydroisomerization over various bifunctional catalysts Catalysis Today. 50: 159-172. DOI: 10.1016/S0920-5861(98)00473-8 |
0.478 |
|
1999 |
Harrell CL, Moscariello JS, Klein MT. The absence of wall effects during benzonitrile hydrolysis Journal of Supercritical Fluids. 14: 219-224. DOI: 10.1016/S0896-8446(98)00108-9 |
0.387 |
|
1998 |
Huang H, Wang K, Wang S, Klein MT, Calkins WH. Studies of coal liquefaction at very short reaction times. 2 Energy and Fuels. 12: 95-101. DOI: 10.1021/Ef970073C |
0.321 |
|
1998 |
Iyer SD, Joshi PV, Klein MT. Automated Model Building and Modeling of Alcohol Oxidation in High Temperature Water Environmental Progress. 17: 221-233. DOI: 10.1002/Ep.670170412 |
0.429 |
|
1997 |
Korre SC, Klein MT, Quann RJ. Hydrocracking of Polynuclear Aromatic Hydrocarbons. Development of Rate Laws through Inhibition Studies Industrial & Engineering Chemistry Research. 36: 2041-2050. DOI: 10.1021/Ie9606808 |
0.339 |
|
1997 |
Watson BA, Klein MT, Harding RH. Mechanistic Modeling of a 1-Phenyloctane/n-Hexadecane Mixture on Rare Earth Y Zeolite Industrial and Engineering Chemistry Research. 36: 2954-2963. DOI: 10.1021/Ie9605084 |
0.396 |
|
1997 |
Watson BA, Klein MT, Harding RH. Mechanistic modeling of n-hexadecane cracking on rare earth Y Energy and Fuels. 11: 354-363. DOI: 10.1021/Ef960079M |
0.442 |
|
1997 |
Fake DM, Nigam A, Klein MT. Mechanism based lumping of pyrolysis reactions: Lumping by reactive intermediates Applied Catalysis a: General. 160: 191-221. DOI: 10.1016/S0926-860X(97)00136-1 |
0.498 |
|
1997 |
Campbell DM, Klein MT. Construction of a molecular representation of a complex feedstock by Monte Carlo and quadrature methods Applied Catalysis a: General. 160: 41-54. DOI: 10.1016/S0926-860X(97)00123-3 |
0.326 |
|
1997 |
Watson BA, Klein MT, Harding RH. Catalytic cracking of alkylbenzenes: Modeling the reaction pathways and mechanisms Applied Catalysis a: General. 160: 13-39. DOI: 10.1016/S0926-860X(97)00122-1 |
0.439 |
|
1997 |
Iyer SD, Klein MT. Effect of pressure on the rate of butyronitrile hydrolysis in high-temperature water Journal of Supercritical Fluids. 10: 191-200. DOI: 10.1016/S0896-8446(97)00004-1 |
0.329 |
|
1997 |
Izzo B, Harrell CL, Klein MT. Nitrile Reaction in High-Temperature Water: Kinetics and Mechanism Aiche Journal. 43: 2048-2058. DOI: 10.1002/Aic.690430813 |
0.435 |
|
1997 |
Broadbelt LJ, Klein MT, Dean BD, Andrews SM. 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. 35: 3305-3322. DOI: 10.1002/(Sici)1099-0518(19971115)35:15<3305::Aid-Pola24>3.0.Co;2-E |
0.575 |
|
1997 |
Watson BA, Klein MT, Harding RH. Catalytic cracking of alkylcyclohexanes: Modeling the reaction pathways and mechanisms International Journal of Chemical Kinetics. 29: 545-560. DOI: 10.1002/(Sici)1097-4601(1997)29:7<545::Aid-Kin9>3.0.Co;2-U |
0.429 |
|
1997 |
Klein MT, Broadbelt LJ, Grittman DH. Generate rigorous pyrolysis models for olefins production by computer World Refining. 7: X1-44. |
0.53 |
|
1997 |
Kumar A, Campbell D, Klein MT. Computer assisted kinetic modeling: Interfacing structure and reaction network builders Acs Division of Petroleum Chemistry, Inc. Preprints. 42: 662-665. |
0.342 |
|
1997 |
Hou G, Mizan TI, Klein MT. Computer-assisted kinetic modeling of hydroprocessing Acs Division of Petroleum Chemistry, Inc. Preprints. 42: 670-673. |
0.318 |
|
1997 |
Campbell DM, Klein MT. A structural attribute reaction model for heavy hydrocarbons Acs Division of Petroleum Chemistry, Inc. Preprints. 42: 300-302. |
0.368 |
|
1996 |
Yumoto M, Kukes SG, Klein MT, Gates BC. Catalytic Hydroprocessing of Aromatic Compounds: Effects of Nickel and Vanadium Sulfide Deposits on Reactivities and Reaction Networks Industrial & Engineering Chemistry Research. 35: 3203-3209. DOI: 10.1021/Ie960023F |
0.385 |
|
1996 |
Watson BA, Klein MT, Harding RH. Mechanistic modeling of n-Heptane cracking on HZSM-5 Industrial and Engineering Chemistry Research. 35: 1506-1516. DOI: 10.1021/Ie950579N |
0.389 |
|
1996 |
Huang H, Wang K, Wang S, Klein MT, Calkins WH. Kinetics of coal liquefaction at very short reaction times Energy and Fuels. 10: 641-648. DOI: 10.1021/Ef950260F |
0.398 |
|
1996 |
Song C, Klein M, Reynolds J. Catalytic conversion of polycyclic aromatic hydrocarbons: an introduction Catalysis Today. 31: 1-2. DOI: 10.1016/S0920-5861(96)90009-7 |
0.305 |
|
1996 |
Iyer SD, Nicol GR, Klein MT. Hydrothermal reactions of 1-nitrobutane in high-temperature water Journal of Supercritical Fluids. 9: 26-32. DOI: 10.1016/S0896-8446(96)90041-8 |
0.407 |
|
1996 |
Korre SC, Klein MT. Development of temperature-independent quantitative structure/reactivity relationships for metal- and acid-catalyzed reactions Catalysis Today. 31: 79-91. DOI: 10.1016/0920-5861(96)00022-3 |
0.384 |
|
1996 |
Broadbelt LJ, Stark SM, Klein MT. Computer generated reaction modelling: Decomposition and encoding algorithms for determining species uniqueness Computers and Chemical Engineering. 20: 113-129. DOI: 10.1016/0098-1354(94)00009-D |
0.532 |
|
1995 |
Broadbelt LJ, Stark SM, Klein MT. Termination of computer-generated reaction mechanisms: Species rank-based convergence criterion Industrial and Engineering Chemistry Research. 34: 2566-2573. DOI: 10.1021/Ie00047A003 |
0.621 |
|
1995 |
Korre SC, Klein MT, Quann RJ. Polynuclear aromatic hydrocarbons hydrogenation. 1. Experimental reaction pathways and kinetics Industrial and Engineering Chemistry Research. 34: 101-117. DOI: 10.1021/Ie00040A008 |
0.373 |
|
1995 |
Walter TD, Klein MT. A mechanistic model of the pyrolysis chemistry of 4-(1-naphthylmethyl)bibenzyl as a probe of hydrocarbon structure/ reactivity relationships Industrial and Engineering Chemistry Research. 34: 4244-4253. DOI: 10.1021/Ie00039A014 |
0.484 |
|
1995 |
Broadbelt LJ, LaMarca C, Klein MT, Dean BD, Andrews SM. Chemical modeling analysis of poly(aryl ether sulfone) thermal stability through computer-generated reaction mechanisms Industrial and Engineering Chemistry Research. 34: 4212-4221. DOI: 10.1021/Ie00039A009 |
0.559 |
|
1995 |
Huang H, Wang K, Klein MT, Calkins WH. Kinetics of thermal and catalyzed coal liquefaction at very short reaction times using a novel batch reactor and thermogravimetric analysis Coal Science and Technology. 24: 1207-1210. DOI: 10.1016/S0167-9449(06)80018-2 |
0.354 |
|
1995 |
Huang H, Fake DM, Klein MT, Calkins WH. A novel reactor system for studying the kinetics of coal liquefaction and related processes at very short reaction times Coal Science and Technology. 24: 1203-1206. DOI: 10.1016/S0167-9449(06)80017-0 |
0.377 |
|
1995 |
Wang X, Gron LU, Klein MT, Brill TB. The influence of high-temperature water on the reaction pathways of nitroanilines The Journal of Supercritical Fluids. 8: 236-249. DOI: 10.1016/0896-8446(95)90036-5 |
0.389 |
|
1995 |
Stark SM, Neurock M, Klein MT. Comparison of MIMD and SIMD strategies for Monte Carlo modelling of kinetically coupled reactions Computers and Chemical Engineering. 19: 719-742. DOI: 10.1016/0098-1354(94)00077-8 |
0.599 |
|
1995 |
Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Structure/reactivity relationships for high-performance polyamides: Kinetics of the reactions of N,N′-dihexylphthalamides in the presence of added copper iodide and water Journal of Polymer Science, Part a: Polymer Chemistry. 33: 533-546. DOI: 10.1002/Pola.1995.080330320 |
0.546 |
|
1995 |
Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Influence of poly(arylether sulfone) molecular weight distribution on measures of global thermal stability Journal of Applied Polymer Science. 58: 1325-1334. DOI: 10.1002/App.1995.070580814 |
0.552 |
|
1995 |
Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Thermal degradation of aliphatic-aromatic polyamides: kinetics of N,N′-dihexylisophthalamide neat and in presence of copper iodide Journal of Applied Polymer Science. 56: 803-815. DOI: 10.1002/App.1995.070560705 |
0.571 |
|
1995 |
Neurock M, Klein MT. Molecular reaction modelling of the thermal pathways and kinetics of heavy hydrocarbon systems American Chemical Society, Division of Petroleum Chemistry, Preprints. 40: 700-704. |
0.334 |
|
1994 |
Boock LT, Klein MT. Experimental kinetics and mechanistic modeling of the oxidation of simple mixtures in near-critical water Industrial and Engineering Chemistry Research. 33: 2554-2562. DOI: 10.1021/Ie00035A005 |
0.411 |
|
1994 |
Huang H, Calkins WH, Klein MT. Use of a novel short contact time batch reactor and thermogravimetric analysis to follow the conversion of coal-derived resids during hydroprocessing Industrial and Engineering Chemistry Research. 33: 2272-2279. DOI: 10.1021/Ie00034A004 |
0.332 |
|
1994 |
Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Thermal stability of high performance poly(aryl ether sulfones): Structure/reactivity relationships in the pyrolysis of oligomeric model compounds Industrial and Engineering Chemistry Research. 33: 2265-2271. DOI: 10.1021/Ie00034A003 |
0.578 |
|
1994 |
Broadbelt LJ, Stark SM, Klein MT. Computer generated pyrolysis modeling: On-the-fly generation of species, reactions, and rates Industrial & Engineering Chemistry Research. 33: 790-799. DOI: 10.1021/Ie00028A003 |
0.615 |
|
1994 |
Russell CL, Klein MT, Quann RJ, Trewella J. Catalytic hydrocracking reaction pathways, kinetics, and mechanisms of n-alkylbenzenes Energy & Fuels. 8: 1394-1400. DOI: 10.1021/Ef00048A031 |
0.417 |
|
1994 |
Huang H, Calkins WH, Klein MT. Novel laboratory scale short contact time batch reactor system for studying fuel processes. 1. Apparatus and preliminary experiments Energy and Fuels. 8: 1304-1309. DOI: 10.1021/Ef00048A019 |
0.385 |
|
1994 |
Fake DM, LaMarca C, Klein MT. Enhancement of coal liquefaction kinetics: Effect of a multicomponent mixture on the attributes of an optimal chain-transfer solvent Energy & Fuels. 8: 1223-1227. DOI: 10.1021/Ef00048A009 |
0.329 |
|
1994 |
Trauth DM, Stark SM, Petti TF, Neurock M, Yasar M, Klein MT. Representation of the Molecular Structure of Petroleum Resid through Characterization and Monte Carlo Modeling Energy & Fuels. 38: 434-439. DOI: 10.1021/Ef00045A010 |
0.719 |
|
1994 |
Petti TF, Trauth DM, Stark SM, Neurock M, Yasar M, Klein MT. CPU Issues in the Representation of the Molecular Structure of Petroleum Resid through Characterization, Reaction, and Monte Carlo Modeling Energy & Fuels. 38: 440-445. DOI: 10.1021/Ef00045A009 |
0.749 |
|
1994 |
Walter TD, Casey SM, Klein MT, Foley HC. Effects of iron carbonyl-based catalyst precursors on the reaction of 4-(naphthylmethyl)bibenzyl Energy & Fuels. 8: 470-473. DOI: 10.1021/Ef00044A027 |
0.302 |
|
1994 |
Provine WD, Klein MT. Molecular simulation of thermal direct coal liquefaction Chemical Engineering Science. 49: 4223-4248. DOI: 10.1016/S0009-2509(05)80017-X |
0.43 |
|
1994 |
Korre SC, Neurock M, Klein MT, Quann RJ. Hydrogenation of polynuclear aromatic hydrocarbons. 2. quantitative structure/reactivity correlations Chemical Engineering Science. 49: 4191-4210. DOI: 10.1016/S0009-2509(05)80015-6 |
0.603 |
|
1994 |
Neurock M, Nigam A, Trauth D, Klein MT. Molecular representation of complex hydrocarbon feedstocks through efficient characterization and stochastic algorithms Chemical Engineering Science. 49: 4153-4177. DOI: 10.1016/S0009-2509(05)80013-2 |
0.548 |
|
1994 |
Provine WD, Jung B, Jacintha MA, Rethwisch DG, Huang H, Calkins WH, Klein MT, Scouten C, Dybowski CR. A kinetic investigation of coal liquefaction at short reaction times Catalysis Today. 19: 409-419. DOI: 10.1016/0920-5861(94)87007-1 |
0.396 |
|
1994 |
Walter TD, Casey SM, Klein MT, Foley HC. Reaction of 4-(naphthylmethyl)bibenzyl, thermally and in the presence of fe ( co )3 ( Pph3 )2 Catalysis Today. 19: 367-379. DOI: 10.1016/0920-5861(94)87004-7 |
0.323 |
|
1994 |
Broadbelt LJ, Chu A, Klein MT. Thermal stability and degradation of aromatic polyamides. Part 2. Structure-reactivity relationships in the pyrolysis and hydrolysis of benzamides Polymer Degradation and Stability. 45: 57-70. DOI: 10.1016/0141-3910(94)90178-3 |
0.573 |
|
1994 |
Broadbelt LJ, Dziennik S, Klein MT. Thermal stability and degradation of aromatic polyamides. 1. Pyrolysis and hydrolysis pathways, kinetics and mechanisms of N-phenylbenzamide Polymer Degradation and Stability. 44: 137-146. DOI: 10.1016/0141-3910(94)90157-0 |
0.565 |
|
1994 |
Broadbelt LJ, Stark SM, Klein MT. Computer generated reaction networks: on-the-fly calculation of species properties using computational quantum chemistry Chemical Engineering Science. 49: 4991-5010. DOI: 10.1016/0009-2509(94)00326-2 |
0.539 |
|
1994 |
Yumoto M, Kukes SG, Klein MT, Gates BC. Hydrodesulfurization and hydrogenation of aromatic compounds catalyzed by Ni-Mo/γ-Al2O3: effects of nickel sulfide and vanadium sulfide deposits Catalysis Letters. 26: 1-7. DOI: 10.1007/Bf00824027 |
0.355 |
|
1994 |
Petti TF, Trauth DM, Stark SM, Newurock M, Yasar M, Klein MT. CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and monte Carlo modeling Energy and Fuels. 8: 570-575. |
0.369 |
|
1993 |
Neurock M, Klein MT. Linear Free Energy Relationships in Kinetic Analyses: Applications of Quantum Chemistry Polycyclic Aromatic Compounds. 3: 231-246. DOI: 10.1080/10406639308009613 |
0.536 |
|
1993 |
Libanati C, Broadbelt L, Lamarca C, Klein MT, Andrews SM, Cotter RJ. Mechanistic modelling of polymer pyrolysis using monte carlo methods Molecular Simulation. 11: 187-204. DOI: 10.1080/08927029308022508 |
0.618 |
|
1993 |
Boock LT, Klein MT. Lumping strategy for modeling the oxidation of C1-C3 alcohols and acetic acid in high-temperature water Industrial & Engineering Chemistry Research. 32: 2464-2473. DOI: 10.1021/Ie00023A004 |
0.401 |
|
1993 |
Nigam A, Klein MT. A mechanism-oriented lumping strategy for heavy hydrocarbon pyrolysis: imposition of quantitative structure-reactivity relationships for pure components Industrial & Engineering Chemistry Research. 32: 1297-1303. DOI: 10.1021/Ie00019A003 |
0.381 |
|
1993 |
LaMarca C, Libanati C, Klein MT, Cronauer DC. Enhancing chain transfer during coal liquefaction: a model system analysis Energy & Fuels. 7: 473-478. DOI: 10.1021/Ef00040A006 |
0.389 |
|
1993 |
Stark SM, Neurock M, Klein MT. Strategies for modelling kinetic interactions in complex mixtures: Monte Carlo algorithms for MIMD parallel architectures Chemical Engineering Science. 48: 4081-4096. DOI: 10.1016/0009-2509(93)80253-M |
0.591 |
|
1992 |
Trauth DM, Kukes SG, Yasar M, Neurock M, Nigam A, Klein MT. Asphaltene and resid pyrolysis: Effect of reaction environment Fuel Science and Technology International. 10: 1161-1179. DOI: 10.1080/08843759208916040 |
0.736 |
|
1992 |
Provine WD, Porro ND, LaMarca C, Klein MT, Foley HC, Bischoff KB, Scouten CG, Cronauer DC, Tait AM. Development of a pulse-injection short contact time coal liquefaction flow reactor Industrial and Engineering Chemistry Research. 31: 1170-1176. DOI: 10.1021/Ie00004A029 |
0.311 |
|
1992 |
Nigam A, LaMarca C, Fake D, Klein MT. Semiempirical rate laws for Rice-Herzfeld pyrolysis of mixtures: capturing chemistry with reasonable computational burden Energy & Fuels. 6: 845-853. DOI: 10.1021/Ef00036A023 |
0.363 |
|
1992 |
Torry LA, Kaminsky R, Klein MT, Klotz MR. The effect of salts on hydrolysis in supercritical and near-critical water: Reactivity and availability☆ Journal of Supercritical Fluids. 5: 163-168. DOI: 10.1016/0896-8446(92)90003-3 |
0.352 |
|
1992 |
Klein MT, Lapinas AT, Gates BC, Read CJ, Lyons JE, Macris A. Cleavage of biphenyl moieties: An efficient new reaction pathway in catalytic hydrocracking Journal of Catalysis. 137: 504-509. DOI: 10.1016/0021-9517(92)90177-J |
0.331 |
|
1992 |
Provine WD, Klein MT, Scouten CG. An initial reaction pathway analysis of direct coal liquefaction: Experimental results Chemical Engineering Science. 47: 3697-3703. DOI: 10.1016/0009-2509(92)85087-R |
0.385 |
|
1991 |
Paspek SC, Klein MT. A REACTION KINETICS MODEL OF SHALE OIL UPGRADING IN SUPERCRITICAL WATER Fuel Science and Technology International. 9: 839-854. DOI: 10.1080/08843759108942299 |
0.431 |
|
1991 |
Train PM, Klein MT. HYDROPROCESSING LIGNIN AND LIGNIN MODEL COMPOUNDS: PRODUCTS, KINETICS, AND CATALYST AGING Fuel Science and Technology International. 9: 193-227. DOI: 10.1080/08843759108942262 |
0.384 |
|
1991 |
Wu BC, Klein MT, Sandler SI. Solvent effects on reactions in supercritical fluids Industrial & Engineering Chemistry Research. 30: 822-828. DOI: 10.1021/Ie00053A003 |
0.347 |
|
1991 |
Wu BC, Klein MT, Sandler SI. Influence of supercritical fluid solvent density on benzyl phenyl ether pyrolysis: indications of diffusional limitations Energy & Fuels. 5: 453-458. DOI: 10.1021/Ef00027A016 |
0.32 |
|
1990 |
Train PM, Klein MT. REACTIONS OFORTHO-HYDROXYDIPHENYLMETHANE AS A PROBE OF CATALYST AGING DURING LIGN1N HYDROPROCESSING Fuel Science and Technology International. 8: 507-526. DOI: 10.1080/08843759008915939 |
0.375 |
|
1990 |
Rohr DF, Klein MT. Modeling diffusion and reaction in crosslinking epoxy-amine cure kinetics: a dynamic percolation approach Industrial & Engineering Chemistry Research. 29: 1210-1218. DOI: 10.1021/Ie00103A020 |
0.453 |
|
1990 |
Bhore NA, Klein MT, Bischoff KB. The delplot technique: a new method for reaction pathway analysis Industrial & Engineering Chemistry Research. 29: 313-316. DOI: 10.1021/Ie00098A025 |
0.331 |
|
1990 |
McDermott JB, Libanati C, LaMarca C, Klein MT. Quantitative use of model compound information: Monte Carlo simulation of the reactions of complex macromolecules Industrial & Engineering Chemistry Research. 29: 22-29. DOI: 10.1021/Ie00097A004 |
0.413 |
|
1990 |
Klein MT, Torry LA, Wu BC, Townsend SH, Paspek SC. Hydrolysis in supercritical water: Solvent effects as a probe of the reaction mechanism Journal of Supercritical Fluids. 3: 222-227. DOI: 10.1016/0896-8446(90)90026-I |
0.346 |
|
1990 |
Bhore NA, Klein MT, Bischoff KB. Species rank in reaction pathways : application of delplot analysis Chemical Engineering Science. 45: 2109-2116. DOI: 10.1016/0009-2509(90)80084-R |
0.363 |
|
1990 |
Neurock M, Libanati C, Nigam A, Klein MT. Monte carlo simulation of complex reaction systems: molecular structure and reactivity in modelling heavy oils Chemical Engineering Science. 45: 2083-2088. DOI: 10.1016/0009-2509(90)80080-X |
0.654 |
|
1990 |
LaMarca C, Libanati C, Klein MT. Design of kinetically coupled complex reaction systems Chemical Engineering Science. 45: 2059-2065. DOI: 10.1016/0009-2509(90)80077-R |
0.385 |
|
1990 |
Wu BC, Klein MT, Sandler SI. The Benzylphenylether thermolysis mechanism: Insights from phase behavior Aiche Journal. 36: 1129-1136. DOI: 10.1002/Aic.690360802 |
0.365 |
|
1989 |
Wu BC, Klein MT, Sandler SI. Reactions in and with supercritical fluids: effect of phase behavior on dibenzyl ether pyrolysis kinetics Industrial & Engineering Chemistry Research. 28: 255-259. DOI: 10.1021/Ie00087A001 |
0.324 |
|
1989 |
Savage PE, Klein MT. Kinetics of coupled reactions: Lumping pentadecylbenzene pyrolysis into three parallel chains Chemical Engineering Science. 44: 985-991. DOI: 10.1016/0009-2509(89)85271-6 |
0.582 |
|
1989 |
Savage PE, Klein MT. Asphaltene reaction pathways—v. Chemical and mathematical modeling Chemical Engineering Science. 44: 393-404. DOI: 10.1016/0009-2509(89)85076-6 |
0.627 |
|
1988 |
Abraham MA, Klein MT. REACTIONS OF BENZYL PHENYL SULFIDE NEAT AND IN DENSE POLAR SOLVENTS Fuel Science and Technology International. 6: 633-662. DOI: 10.1080/08843758808915907 |
0.68 |
|
1988 |
Abraham MA, Wu BC, Paspek SC, Klein MT. Reactions of Dibenzylamine Neat and in Supercritical Fluid Solvents Fuel Science and Technology International. 6: 557-568. DOI: 10.1080/08843758808915903 |
0.682 |
|
1988 |
Rohr DF, Klein MT. Modeling diffusion and reaction in epoxy-amine linear polymerization kinetics Industrial & Engineering Chemistry Research. 27: 1361-1366. DOI: 10.1021/Ie00080A005 |
0.364 |
|
1988 |
Savage PE, Klein MT. Asphaltene reaction pathways. 4. Pyrolysis of tridecylcyclohexane and 2-ethyltetralin Industrial & Engineering Chemistry Research. 27: 1348-1356. DOI: 10.1021/Ie00080A003 |
0.566 |
|
1988 |
Townsend SH, Abraham MA, Huppert GL, Klein MT, Paspek SC. Solvent effects during reactions in supercritical water Industrial & Engineering Chemistry Research. 27: 143-149. DOI: 10.1021/Ie00073A026 |
0.644 |
|
1988 |
Savage PE, Klein MT, Kukes SG. Asphaltene reaction pathways. 3. Effect of reaction environment Energy & Fuels. 2: 619-628. DOI: 10.1021/Ef00011A003 |
0.454 |
|
1987 |
Petrocelli F, Klein M. PROBABILISTIC MODELLING OF LIGNIN LIQUEFACTION Petroleum Science and Technology. 5: 291-327. DOI: 10.1080/08843758708915856 |
0.393 |
|
1987 |
Petrocelli FP, Klein MT. Modeling Lignin Liquefaction 1. Catalytic Hydroprocessing Of Lignin-Related Methoxyphenols And Interaromatic Unit Linkages Petroleum Science and Technology. 5: 25-62. DOI: 10.1080/08843758708915845 |
0.34 |
|
1987 |
Savage PE, Klein MT. Asphaltene reaction pathways. 2. Pyrolysis of n-pentadecylbenzene Industrial & Engineering Chemistry Research. 26: 488-494. DOI: 10.1021/Ie00063A015 |
0.537 |
|
1987 |
Savage PE, Klein MT. Discrimination between molecular and free-radical models of 1-phenyldodecane pyrolysis Industrial & Engineering Chemistry Research. 26: 374-376. DOI: 10.1021/Ie00062A034 |
0.527 |
|
1986 |
McDermott JB, Klein MT, Obst JR. Chemical modeling in the deduction of process concepts: a proposed novel process for lignin liquefaction Industrial & Engineering Chemistry Process Design and Development. 25: 885-889. DOI: 10.1021/I200035A008 |
0.33 |
|
1986 |
McDermott JB, Klein MT. Chemical and probabilistic modelling of complex reactions: A lignin depolymerization example Chemical Engineering Science. 41: 1053-1060. DOI: 10.1016/0009-2509(86)87192-5 |
0.443 |
|
1985 |
Ozer R, Monaco MP, Petrocelli FP, Klein MT. Modeling phenolic resins and their thermolysis Macromolecules. 18: 491-495. DOI: 10.1021/Ma00145A031 |
0.391 |
|
1985 |
Petrocelli FP, Klein MT. Chemical modeling analysis of the yields of single-ring phenolics from lignin liquefaction Industrial & Engineering Chemistry Product Research and Development. 24: 635-641. DOI: 10.1021/I300020A026 |
0.381 |
|
1985 |
Abraham MA, Klein MT. Pyrolysis of benzylphenylamine neat and with tetralin, methanol, and water solvents Industrial & Engineering Chemistry Product Research and Development. 24: 300-306. DOI: 10.1021/I300018A025 |
0.59 |
|
1985 |
Savage PE, Klein MT, Kukes SG. Asphaltene reaction pathways. 1. Thermolysis Industrial & Engineering Chemistry Process Design and Development. 24: 1169-1174. DOI: 10.1021/I200031A046 |
0.559 |
|
1985 |
Jegers HE, Klein MT. Primary and secondary lignin pyrolysis reaction pathways Industrial & Engineering Chemistry Process Design and Development. 24: 173-183. DOI: 10.1021/I200028A030 |
0.45 |
|
1985 |
Simmons MB, Klein MT. Free-radical and concerted reaction pathways in dibenzyl ether thermolysis Industrial & Engineering Chemistry Fundamentals. 24: 55-60. DOI: 10.1021/I100017A010 |
0.358 |
|
1985 |
Givler RM, Dhurjati P, Klein MT. A model compound analysis of a strategy for the selective microbial pretreatment of lignin The Chemical Engineering Journal. 30. DOI: 10.1016/0300-9467(85)80018-6 |
0.343 |
|
1985 |
O'Malley MM, Bennett MA, Simmons MB, Thompson ED, Klein MT. Isotope labelling as a probe for free-radical reactions during dibenzyl ether thermolysis Fuel. 64: 1027-1029. DOI: 10.1016/0016-2361(85)90166-8 |
0.338 |
|
1985 |
Townsend SH, Klein MT. Dibenzyl ether as a probe into the supercritical fluid solvent extraction of volatiles from coal with water Fuel. 64: 635-638. DOI: 10.1016/0016-2361(85)90047-X |
0.34 |
|
1984 |
PETROCELLI FP, KLEIN MT. SIMULATION OF LIGNIN PYROLYSIS Chemical Engineering Communications. 30: 343-360. DOI: 10.1080/00986448408911138 |
0.418 |
|
1984 |
Petrocelli FP, Klein MT. Model reaction pathways in Kraft lignin pyrolysis Macromolecules. 17: 161-169. DOI: 10.1021/Ma00132A008 |
0.333 |
|
1983 |
Hurff SJ, Klein MT. Reaction pathway analysis of thermal and catalytic lignin fragmentation by use of model compounds Industrial & Engineering Chemistry Fundamentals. 22: 426-430. DOI: 10.1021/I100012A012 |
0.371 |
|
1983 |
Klein MT, Virk PS. Model pathways in lignin thermolysis. 1. Phenethyl phenyl ether Industrial & Engineering Chemistry Fundamentals. 22: 35-45. DOI: 10.1021/I100009A007 |
0.683 |
|
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