BROADBELT, Linda: search on Z-Library

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1

Application and comparison of derivative-free optimization algorithms to control and optimize free radical polymerization simulated using the kinetic Monte Carlo method

Gao, Hanyu, Waechter, Andreas, Konstantinov, Ivan A., Arturo, Steven G., Broadbelt, Linda J.

Journal:

Computers & Chemical Engineering

Year:

2018

Language:

english

File:

PDF, 614 KB

english, 2018

2

Computer generated reaction networks: on-the-fly calculation of species properties using computational quantum chemistry

Linda J. Broadbelt, Scott M. Stark, Michael T. Klein

Journal:

Chemical Engineering Science

Year:

1994

Language:

english

File:

PDF, 1.59 MB

english, 1994

3

Mechanism reduction during computer generation of compact reaction models

David J. Klinke II, Linda J. Broadbelt

Journal:

Year:

1997

Language:

english

File:

PDF, 1.02 MB

english, 1997

4

Computer Generated Pyrolysis Modeling: On-the-Fly Generation of Species, Reactions, and Rates

Broadbelt, Linda J., Stark, Scott M., Klein, Michael T.

Journal:

Industrial & Engineering Chemistry Research

Year:

1994

Language:

english

File:

PDF, 2.10 MB

english, 1994

5

Unraveling Reaction Pathways and Specifying Reaction Kinetics for Complex Systems

Vinu, R., Broadbelt, Linda J.

Journal:

Annual Review of Chemical and Biomolecular Engineering

Year:

2012

Language:

english

File:

PDF, 607 KB

english, 2012

6

Computer Generation of Reaction Mechanisms Using Quantitative Rate Information: Application to Long-Chain Hydrocarbon Pyrolysis

De Witt, Matthew J., Dooling, David J., Broadbelt, Linda J.

Journal:

Industrial & Engineering Chemistry Research

Year:

2000

Language:

english

File:

PDF, 227 KB

english, 2000

7

Rate-Based Construction of Kinetic Models for Complex Systems

Susnow, Roberta G., Dean, Anthony M., Green, William H., Peczak, P., Broadbelt, Linda J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 288 KB

english, 1997

8

Reaction free energies in organic solvents: comparing different quantum mechanical methods

Konstantinov, Ivan A., Broadbelt, Linda J.

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 277 KB

english, 2010

9

The Role of Multifunctional Kinetics during Early-Stage Silicon Hydride Pyrolysis: Reactivity of Si 2 H 2 Isomers with SiH 4 and Si 2 H 6

Adamczyk, Andrew J., Broadbelt, Linda J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.75 MB

english, 2011

10

A Combined Computational and Experimental Study of Copolymerization Propagation Kinetics for 1-Ethylcyclopentyl methacrylate and Methyl methacrylate

Zhang, Guozhen, Zhang, Lanhe, Gao, Hanyu, Konstantinov, Ivan A., Arturo, Steven G., Yu, Decai, Torkelson, John M., Broadbelt, Linda J.

Journal:

Macromolecular Theory and Simulations

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016

11

Multiscale modeling of transport and residence times in nanostructured membranes

Simón E. Albo, Linda J. Broadbelt, Randall Q. Snurr

Journal:

Year:

2006

Language:

english

File:

PDF, 253 KB

english, 2006

12

Termination of Computer-Generated Reaction Mechanisms: Species Rank-Based Convergence Criterion

Broadbelt, Linda J., Stark, Scott M., Klein, Michael T.

Journal:

Industrial & Engineering Chemistry Research

Year:

1995

Language:

english

File:

PDF, 912 KB

english, 1995

13

A Theoretical Study of Carbon Chemisorption on Ni(111) and Co(0001) Surfaces

David J. Klinke II, Steffen Wilke, Linda J. Broadbelt

Journal:

Journal of Catalysis

Year:

1998

Language:

english

File:

PDF, 280 KB

english, 1998

14

Mechanistic interpretation of base-catalyzed depolymerization of polystyrene

Oh Sang Woo, Nancy Ayala, Linda J Broadbelt

Journal:

Catalysis Today

Year:

2000

Language:

english

File:

PDF, 254 KB

english, 2000

15

Metabolic networks: enzyme function and metabolite structure

Vassily Hatzimanikatis, Chunhui Li, Justin A Ionita, Linda J Broadbelt

Journal:

Current Opinion in Structural Biology

Year:

2004

Language:

english

File:

PDF, 132 KB

english, 2004

16

Mechanistic Modeling of Lubricant Degradation. 1. Structure−Reactivity Relationships for Free-Radical Oxidation

Pfaendtner, Jim, Broadbelt, Linda J.

Journal:

Industrial & Engineering Chemistry Research

Year:

2008

Language:

english

File:

PDF, 172 KB

english, 2008

17

Discovery and analysis of novel metabolic pathways for the biosynthesis of industrial chemicals: 3-hydroxypropanoate

Christopher S. Henry, Linda J. Broadbelt, Vassily Hatzimanikatis

Journal:

Biotechnology and Bioengineering

Year:

2010

Language:

english

File:

PDF, 2.18 MB

english, 2010

18

Effects of Nanoscale Confinement and Interfaces on the Glass Transition Temperatures of a Series of Poly(n-methacrylate) Films

Priestley, Rodney D., Mundra, Manish K., Barnett, Nina J., Broadbelt, Linda J., Torkelson, John M.

Journal:

Australian Journal of Chemistry

Year:

2007

Language:

english

File:

PDF, 246 KB

english, 2007

19

The Alpha–Bet(a) of Glucose Pyrolysis: Computational and Experimental Investigations of 5-Hydroxymethylfurfural and Levoglucosan Formation Reveal Implications for Cellulose Pyrolysis

Mayes, Heather B., Nolte, Michael W., Beckham, Gregg T., Shanks, Brent H., Broadbelt, Linda J.

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2014

Language:

english

File:

PDF, 1.62 MB

english, 2014

20

Microkinetic modeling of the autoxidative curing of an alkyd and oil-based paint model system

Oakley, Lindsay H., Casadio, Francesca, Shull, Kenneth R., Broadbelt, Linda J.

Journal:

Applied Physics A: Materials Science & Processing

Year:

2015

Language:

english

File:

PDF, 678 KB

english, 2015

21

Modeling the evolution of crosslinked and extractable material in an oil-based paint model system

Oakley, Lindsay H, Casadio, Francesca, Shull, Kenneth R, Broadbelt, Linda J.

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 2.04 MB

english, 2018

22

Characterizing and predicting carboxylic acid reductase activity for diversifying bioaldehyde production

Moura, Matthew, Pertusi, Dante, Lenzini, Stephen, Bhan, Namita, Broadbelt, Linda J., Tyo, Keith E.J.

Journal:

Biotechnology and Bioengineering

Year:

2016

Language:

english

File:

PDF, 1.16 MB

english, 2016

23

A Critical Review on Hemicellulose Pyrolysis

Zhou, Xiaowei, Li, Wenjun, Mabon, Ross, Broadbelt, Linda J.

Journal:

Energy Technology

Year:

2016

Language:

english

File:

PDF, 3.03 MB

english, 2016

24

Modeling the Evolution of Crosslinked and Extractable Material in an Oil-Based Paint Model System

Oakley, Lindsay H., Casadio, Francesca, Shull, Professor Kenneth R., Broadbelt, Professor Linda J.

Journal:

Angewandte Chemie

Year:

2018

Language:

english

File:

PDF, 1.46 MB

english, 2018

25

Mechanistic Modeling of Lubricant Degradation. 2. The Autoxidation of Decane and Octane

Pfaendtner, Jim, Broadbelt, Linda J.

Journal:

Industrial & Engineering Chemistry Research

Year:

2008

Language:

english

File:

PDF, 102 KB

english, 2008

26

Model polymer nanocomposites provide an understanding of confinement effects in real nanocomposites

Rittigstein, Perla, Priestley, Rodney D., Broadbelt, Linda J., Torkelson, John M.

Journal:

Nature Materials

Year:

2007

Language:

english

File:

PDF, 216 KB

english, 2007

27

Genome-Scale Thermodynamic Analysis of Escherichia coli Metabolism

Henry, Christopher S., Jankowski, Matthew D., Broadbelt, Linda J., Hatzimanikatis, Vassily

Journal:

Biophysical Journal

Year:

2006

Language:

english

File:

PDF, 295 KB

english, 2006

28

Origin and Characteristics of Preferential Adsorption on Different Sites in Cobalt-Exchanged Ferrierite

McMillan, Scott A., Snurr, Randall Q., Broadbelt, Linda J.

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 194 KB

english, 2003

29

Dynamic genome-scale cell-specific metabolic models reveal novel inter-cellular and intra-cellular metabolic communications during ovarian follicle development

Peñalver Bernabé, Beatriz, Thiele, Ines, Galdones, Eugene, Siletz, Anaar, Chandrasekaran, Sriram, Woodruff, Teresa K., Broadbelt, Linda J., Shea, Lonnie D.

Journal:

BMC Bioinformatics

Year:

2019

Language:

english

File:

PDF, 2.75 MB

english, 2019

30

Thermodynamic analysis of biodegradation pathways

Stacey D. Finley, Linda J. Broadbelt, Vassily Hatzimanikatis

Journal:

Biotechnology and Bioengineering

Year:

2009

Language:

english

File:

PDF, 479 KB

english, 2009

31

Kinetic Study of the Copolymerization of Methyl Methacrylate and Methyl Acrylate Using Quantum Chemistry

Yu, Xinrui, Levine, Seth E., Broadbelt, Linda J.

Journal:

Year:

2008

Language:

english

File:

PDF, 331 KB

english, 2008

32

Group Additivity Determination for Enthalpies of Formation of Carbenium Ions

Bjorkman, Kathryn R., Sung, Chun-Yi, Mondor, Eric, Cheng, Janine C., Jan, Deng-Yang, Broadbelt, Linda J.

Journal:

Industrial & Engineering Chemistry Research

Year:

2014

Language:

english

File:

PDF, 729 KB

english, 2014

33

Stochastic modelling of gradient copolymer chemical composition distribution and sequence length distribution

Cho, Andrew S., Broadbelt, Linda J.

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 727 KB

english, 2010

34

NASCRE-4 Editorial

Broadbelt, Linda, Gautam, Pankaj, Bielenberg, Jim

Journal:

Industrial & Engineering Chemistry Research

Year:

2019

Language:

english

File:

PDF, 227 KB

english, 2019

35

4-Acetoxystyrene nitroxide-mediated controlled radical polymerization: Comparison with styrene

Andrew S. Cho, Lin Wang, Emmanuel Dowuona, Hongying Zhou, SonBinh T. Nguyen, Linda J. Broadbelt

Journal:

Journal of Applied Polymer Science

Year:

2010

Language:

english

File:

PDF, 422 KB

english, 2010

36

The 1-D hindered rotor approximation

Jim Pfaendtner, Xinrui Yu, Linda J. Broadbelt

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 680 KB

english, 2007

37

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

Xinrui Yu, Linda J. Broadbelt

Journal:

Macromolecular Theory and Simulations

Year:

2012

Language:

english

File:

PDF, 412 KB

english, 2012

38

Group Contribution Method for Thermodynamic Analysis of Complex Metabolic Networks

Jankowski, Matthew D., Henry, Christopher S., Broadbelt, Linda J., Hatzimanikatis, Vassily

Journal:

Biophysical Journal

Year:

2008

Language:

english

File:

PDF, 512 KB

english, 2008

39

Elucidation of consistent enantioselectivity for a homologous series of chiral compounds in homochiral metal–organic frameworks

Bao, Xiaoying, Broadbelt, Linda J., Snurr, Randall Q.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

40

Evidence for the molecular-scale origin of the suppression of physical ageing in confined polymer: fluorescence and dielectric spectroscopy studies of polymer–silica nanocomposites

Priestley, Rodney D, Rittigstein, Perla, Broadbelt, Linda J, Fukao, Koji, Torkelson, John M

Journal:

Journal of Physics Condensed Matter

Year:

2007

Language:

english

File:

PDF, 323 KB

english, 2007

41

Chemical Modeling Analysis of Poly(aryl ether sulfone) Thermal Stability through Computer-Generated Reaction Mechanisms

Broadbelt, Linda J., LaMarca, Concetta, Klein, Michael T., Dean, Barry D., Andrews, Stephen M.

Journal:

Industrial & Engineering Chemistry Research

Year:

1995

Language:

english

File:

PDF, 1.15 MB

english, 1995

42

Computational Framework for the Identification of Bioprivileged Molecules

Zhou, Xiaowei, Brentzel, Zachary J., Kraus, George A., Keeling, Peter L., Dumesic, James A., Shanks, Brent H., Broadbelt, Linda J.

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2019

Language:

english

File:

PDF, 4.35 MB

english, 2019

43

Metabolic kinetic modeling provides insight into complex biological questions, but hurdles remain

Strutz, Jonathan, Martin, Jacob, Greene, Jennifer, Broadbelt, Linda, Tyo, Keith

Journal:

Current Opinion in Biotechnology

Year:

2019

Language:

english

File:

PDF, 361 KB

english, 2019

44

Quantum chemical determination of stable intermediates for alkene epoxidation with Mn-porphyrin catalysts

María C. Curet-Arana, Gloria A. Emberger, Linda J. Broadbelt, Randall Q. Snurr

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2008

Language:

english

File:

PDF, 530 KB

english, 2008

45

The impact of adhesion peptides within hydrogels on the phenotype and signaling of normal and cancerous mammary epithelial cells

Michael S. Weiss, Beatriz Peñalver Bernabé, Ariella Shikanov, Dennis A. Bluver, Michael D. Mui, Seungjin Shin, Linda J. Broadbelt, Lonnie D. Shea

Journal:

Year:

2012

Language:

english

File:

PDF, 1.81 MB

english, 2012

46

Solvent effects in the epoxidation reaction of 1-hexene with titanium silicalite-1 catalyst

Chen E. Ramachandran, Hongwei Du, Yoo Joong Kim, Mayfair C. Kung, Randall Q. Snurr, Linda J. Broadbelt

Journal:

Journal of Catalysis

Year:

2008

Language:

english

File:

PDF, 419 KB

english, 2008

47

Is catenation beneficial for hydrogen storage in metal–organic frameworks?

Ryan, Patrick, Broadbelt, Linda J., Snurr, Randall Q.

Journal:

Chemical Communications

Year:

2008

Language:

english

File:

PDF, 209 KB

english, 2008

48

Limitations in the Synthesis of High Molecular Weight Polymers via Nitroxide-Mediated Controlled Radical Polymerization: Modeling Studies

Kruse, Todd M., Souleimonova, Razima, Cho, Andrew, Gray, Maisha K., Torkelson, John M., Broadbelt, Linda J.

Journal:

Year:

2003

Language:

english

File:

PDF, 236 KB

english, 2003

49

Distance and angular holonomic constraints in molecular simulations

Dubbeldam, David, Oxford, Gloria A. E., Krishna, Rajamani, Broadbelt, Linda J., Snurr, Randall Q.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 547 KB

english, 2010

50

A theoretical study of epoxidation reactions relevant to hydrocarbon oxidation

Oakley, Lindsay Hardt, Casadio, Francesca, Shull, Kenneth R, Broadbelt, Linda J.

Journal:

Industrial & Engineering Chemistry Research

Year:

2017

Language:

english

File:

PDF, 875 KB

english, 2017

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