Klippenstein, Stephen J: search on Z-Library

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1

Modeling nitrogen chemistry in combustion

Glarborg, Peter, Miller, James A., Ruscic, Branko, Klippenstein, Stephen J.

Journal:

Progress in Energy and Combustion Science

Year:

2018

Language:

english

File:

PDF, 9.63 MB

english, 2018

2

Current Status of Transition-State Theory

Truhlar, Donald G., Garrett, Bruce C., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 905 KB

english, 1996

3

Temperature and Pressure-Dependent Rate Coefficients for the Reaction of Vinyl Radical with Molecular Oxygen

Goldsmith, C. Franklin, Harding, Lawrence B., Georgievskii, Yuri, Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.35 MB

english, 2015

4

High-pressure oxidation of ethane

Hashemi, Hamid, Jacobsen, Jon G., Rasmussen, Christian T., Christensen, Jakob M., Glarborg, Peter, Gersen, Sander, van Essen, Martijn, Levinsky, Howard B., Klippenstein, Stephen J.

Journal:

Combustion and Flame

Year:

2017

Language:

english

File:

PDF, 2.56 MB

english, 2017

5

Ab initio kinetics for the decomposition of monomethylhydrazine (CH3NHNH2)

Peng Zhang, Stephen J. Klippenstein, Hongyan Sun, Chung K. Law

Journal:

Proceedings of the Combustion Institute

Year:

2011

Language:

english

File:

PDF, 515 KB

english, 2011

6

Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances

Klippenstein, Stephen J., Pande, Vijay S., Truhlar, Donald G.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 1.32 MB

english, 2014

7

Modeling the Kinetics of Bimolecular Reactions

Fernández-Ramos, Antonio, Miller, James A., Klippenstein, Stephen J., Truhlar, Donald G.

Journal:

Chemical Reviews

Year:

2006

Language:

english

File:

PDF, 849 KB

english, 2006

8

[Computer Aided Chemical Engineering] Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion Volume 45 || Ab initio kinetics for pyrolysis and combustion systems

Klippenstein, Stephen J.

Year:

2019

Language:

english

File:

PDF, 2.97 MB

english, 2019

9

Resolving the mystery of prompt CO2: The HCCO+O2 reaction

Stephen J. Klippenstein, James A. Miller, Lawrence B. Harding

Journal:

Proceedings of the Combustion Institute

Year:

2002

Language:

english

File:

PDF, 150 KB

english, 2002

10

A theoretical analysis of the CH3+H reaction: isotope effects, the high-pressure limit, and transition state recrossing

Stephen J. Klippenstein, Yuri Georgievskii, Lawrence B. Harding

Journal:

Proceedings of the Combustion Institute

Year:

2002

Language:

english

File:

PDF, 172 KB

english, 2002

11

ChemInform Abstract: Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances

Klippenstein, Stephen J., Pande, Vijay S., Truhlar, Donald G.

Journal:

Year:

2014

File:

PDF, 18 KB

2014

12

On the formation and decomposition of C7H8

Stephen J. Klippenstein, Lawrence B. Harding, Yuri Georgievskii

Journal:

Proceedings of the Combustion Institute

Year:

2007

Language:

english

File:

PDF, 331 KB

english, 2007

13

High-pressure oxidation of methane

Hashemi, Hamid, Christensen, Jakob M., Gersen, Sander, Levinsky, Howard, Klippenstein, Stephen J., Glarborg, Peter

Journal:

Combustion and Flame

Year:

2016

Language:

english

File:

PDF, 2.76 MB

english, 2016

14

Temperature- and pressure-dependent rate coefficients for the HACA pathways from benzene to naphthalene

Mebel, Alexander M., Georgievskii, Yuri, Jasper, Ahren W., Klippenstein, Stephen J.

Journal:

Proceedings of the Combustion Institute

Year:

2016

Language:

english

File:

PDF, 1.90 MB

english, 2016

15

Oxidation pathways in the reaction of diacetylene with OH radicals

Juan P. Senosiain, Stephen J. Klippenstein, James A. Miller

Journal:

Proceedings of the Combustion Institute

Year:

2007

Language:

english

File:

PDF, 246 KB

english, 2007

16

Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions

Burke, Michael P., Goldsmith, C. Franklin, Klippenstein, Stephen J., Welz, Oliver, Huang, Haifeng, Antonov, Ivan O., Savee, John D., Osborn, David L., Zádor, Judit, Taatjes, Craig A., Sheps, Leonid

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.13 MB

english, 2015

17

A shock-tube and theory study of the dissociation of acetone and subsequent recombination of methyl radicals

Saumitra Saxena, John H. Kiefer, Stephen J. Klippenstein

Journal:

Proceedings of the Combustion Institute

Year:

2009

Language:

english

File:

PDF, 343 KB

english, 2009

18

Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition

C. Franklin Goldsmith, Stephen J. Klippenstein, William H. Green

Journal:

Proceedings of the Combustion Institute

Year:

2011

Language:

english

File:

PDF, 295 KB

english, 2011

19

Comment on “Automatic estimation of pressure-dependent rate coefficients” (J. W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys., 2011, 14, 1131–1155)

Miller, James A., Klippenstein, Stephen J.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 243 KB

english, 2012

20

A Two Transition State Model for Radical−Molecule Reactions: A Case Study of the Addition of OH to C 2 H 4

Greenwald, Erin E., North, Simon W., Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 275 KB

english, 2005

21

A theoretical analysis of the reaction between ethyl and molecular oxygen

James A. Miller, Stephen J. Klippenstein, Struan H. Robertson

Journal:

Proceedings of the Combustion Institute

Year:

2000

Language:

english

File:

PDF, 219 KB

english, 2000

22

Determining phenomenological rate coefficients from a time-dependent, multiple-well master equation: “species reduction” at high temperatures

Miller, James A., Klippenstein, Stephen J.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.52 MB

english, 2013

23

Theoretical kinetic estimates for the recombination of hydrogen atoms with propargyl and allyl radicals

Lawrence B. Harding, Stephen J. Klippenstein

Journal:

Proceedings of the Combustion Institute

Year:

2000

Language:

english

File:

PDF, 183 KB

english, 2000

24

Reactions of oxygen atoms with hydrocarbon radicals: a priori kinetic predictions for the CH3 + O, C2H5 + O, and C2H3 + O reactions

Lawrence B. Harding, Stephen J. Klippenstein, Yuri Georgievskii

Journal:

Proceedings of the Combustion Institute

Year:

2005

Language:

english

File:

PDF, 324 KB

english, 2005

25

Theoretical rate coefficients for the reaction of methyl radical with hydroperoxyl radical and for methylhydroperoxide decomposition

Ahren W. Jasper, Stephen J. Klippenstein, Lawrence B. Harding

Journal:

Proceedings of the Combustion Institute

Year:

2009

Language:

english

File:

PDF, 253 KB

english, 2009

26

Theoretical Validation of Chemical Kinetic Mechanisms: Combustion of Methanol

Skodje, Rex T., Tomlin, Alison S., Klippenstein, Stephen J., Harding, Lawrence B., Davis, Michael J.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.23 MB

english, 2010

27

Resolving Some Paradoxes in the Thermal Decomposition Mechanism of Acetaldehyde

Sivaramakrishnan, Raghu, Michael, Joe V., Harding, Lawrence B., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 459 KB

english, 2015

28

Secondary channels in the thermal decomposition of monomethylhydrazine (CH 3 NHNH 2 )

Zhang, Peng, Klippenstein, Stephen J., Harding, Lawrence B., Sun, Hongyan, Law, Chung K.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.15 MB

english, 2014

29

Reaction Profiles and Kinetics for RadicalâRadical Hydrogen Abstraction via Multireference Coupled Cluster Theory

Wu, Chia-Hua, Magers, D. Brandon, Harding, Lawrence B., Klippenstein, Stephen J., Allen, Wesley D.

Journal:

Journal of Chemical Theory and Computation

Year:

2020

Language:

english

File:

PDF, 1.99 MB

english, 2020

30

Variable reaction coordinate direct RRKM theory

Stephen J. Klippenstein, Wesley D. Allen

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1997

Language:

english

File:

PDF, 1.41 MB

english, 1997

31

Comprehensive H2/O2 kinetic model for high-pressure combustion

Michael P. Burke, Marcos Chaos, Yiguang Ju, Frederick L. Dryer, Stephen J. Klippenstein

Journal:

International Journal of Chemical Kinetics

Year:

2012

Language:

english

File:

PDF, 1.50 MB

english, 2012

32

Kinetics of the H + NCO reaction

Stephen J. Klippenstein, Lawrence B. Harding

Journal:

Proceedings of the Combustion Institute

Year:

2009

Language:

english

File:

PDF, 542 KB

english, 2009

33

Reaction of Ethylene with Hydroxyl Radicals: A Theoretical Study †

Senosiain, Juan P., Klippenstein, Stephen J., Miller, James A.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 202 KB

english, 2006

34

Ab initio Variational Transition State Theory and Master Equation Study of the Reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5

Nurkowski, Daniel, Klippenstein, Stephen J., Georgievskii, Yuri, Verdicchio, Marco, Jasper, Ahren W., Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus

Journal:

Zeitschrift für Physikalische Chemie

Year:

2015

Language:

english

File:

PDF, 738 KB

english, 2015

35

A complete statistical analysis of the reaction between OH and CO

Juan P. Senosiain, Stephen J. Klippenstein, James A. Miller

Journal:

Proceedings of the Combustion Institute

Year:

2005

Language:

english

File:

PDF, 371 KB

english, 2005

36

A quantitative explanation for the apparent anomalous temperature dependence of OH+HO2=H2O+O2 through multi-scale modeling

Burke, Michael P., Klippenstein, Stephen J., Harding, Lawrence B.

Journal:

Proceedings of the Combustion Institute

Year:

2013

Language:

english

File:

PDF, 599 KB

english, 2013

37

From the Time-Dependent, Multiple-Well Master Equation to Phenomenological Rate Coefficients

Klippenstein, Stephen J., Miller, James A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 224 KB

english, 2002

38

Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

Jasper, Ahren W, Gruey, Zackery Boone, Harding, Lawrence B, Georgievskii, Yuri, Klippenstein, Stephen J, Wagner, Albert F.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 2.85 MB

english, 2018

39

Uncertainty driven theoretical kinetics studies for CH3OH ignition: HO2 + CH3OH and O2 + CH3OH

Stephen J. Klippenstein, Lawrence B. Harding, Michael J. Davis, Alison S. Tomlin, Rex T. Skodje

Journal:

Proceedings of the Combustion Institute

Year:

2011

Language:

english

File:

PDF, 455 KB

english, 2011

40

Experimental and Theoretical Investigation of the Self-Reaction of Phenyl Radicals

Tranter, Robert S., Klippenstein, Stephen J., Harding, Lawrence B., Giri, Binod R., Yang, Xueliang, Kiefer, John H.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.85 MB

english, 2010

41

The Effect of Spin−Orbit Splitting on the Association Kinetics of Barrierless Halogen Atom−Hydrocarbon Radical Reactions

Jasper, Ahren W., Klippenstein, Stephen J., Harding, Lawrence B.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.61 MB

english, 2010

42

Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions

Georgievskii, Yuri, Miller, James A., Burke, Michael P., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 574 KB

english, 2013

43

An Efficient Procedure for Evaluating the Number of Available States within a Variably Defined Reaction Coordinate Framework

Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 735 KB

english, 1994

44

Dissociation of Propyl Radicals and Other Reactions on a C 3 H 7 Potential

Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.99 MB

english, 2013

45

Propargyl + O 2 Reaction in Helium Droplets: Entrance Channel Barrier or Not?

Moradi, Christopher P., Morrison, Alexander M., Klippenstein, Stephen J., Goldsmith, C. Franklin, Douberly, Gary E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

46

A direct transition state theory based analysis of the branching in NH2 + NO

Fang, De-Cai, Harding, Lawrence B., Klippenstein, Stephen J., Miller, James A.

Journal:

Faraday Discussions

Year:

2001

Language:

english

File:

PDF, 230 KB

english, 2001

47

Effects of New Ab Initio Rate Coefficients on Predictions of Species Formed during n -Butanol Ignition and Pyrolysis

Karwat, Darshan M. A., Wooldridge, Margaret S., Klippenstein, Stephen J., Davis, Michael J.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.16 MB

english, 2015

48

Pressure dependent low temperature kinetics for CN + CH 3 CN: competition between chemical reaction and van der Waals complex formation

Sleiman, Chantal, González, Sergio, Klippenstein, Stephen J., Talbi, Dahbia, El Dib, Gisèle, Canosa, André

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.00 MB

english, 2016

49

Termolecular chemistry facilitated by radical-radical recombinations and its impact on flame speed predictions

Tao, Yujie, Jasper, Ahren W., Georgievskii, Yuri, Klippenstein, Stephen J., Sivaramakrishnan, Raghu

Journal:

Proceedings of the Combustion Institute

Year:

2020

File:

PDF, 802 KB

2020

50

Identification and Chemistry of C 4 H 3 and C 4 H 5 Isomers in Fuel-Rich Flames

Hansen, Nils, Klippenstein, Stephen J., Taatjes, Craig A., Miller, James A., Wang, Juan, Cool, Terrill A., Yang, Bin, Yang, Rui, Wei, Lixia, Huang, Chaoqun, Wang, Jing, Qi, Fei, Law, Matthew E., Westm

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 258 KB

english, 2006

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