Simmie, John M.: search on Z-Library

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1

A comprehensive modeling study of hydrogen oxidation

Marcus Ó Conaire, Henry J. Curran, John M. Simmie, William J. Pitz, Charles K. Westbrook

Journal:

International Journal of Chemical Kinetics

Year:

2004

Language:

english

File:

PDF, 298 KB

english, 2004

2

Profit Maximizing Perceptual Positions: An Integrated Theory for the Selection of Product Features and Price

Hauser, John R., Simmie, Patricia

Journal:

Management Science

Year:

1981

Language:

english

File:

PDF, 1024 KB

english, 1981

3

Detailed chemical kinetic models for the combustion of hydrocarbon fuels

Journal:

Progress in Energy and Combustion Science

Year:

2003

Language:

english

File:

PDF, 498 KB

english, 2003

4

[Green Energy and Technology] Cleaner Combustion ||

Battin-Leclerc, Frédérique, Simmie, John M., Blurock, Edward

Year:

2013

Language:

english

File:

PDF, 12.32 MB

english, 2013

5

Profit Maximizing Perceptual Positions: An Integrated Theory for the Selection of Product Features and Price

John R. Hauser and Patricia Simmie

Journal:

Management Science

Year:

1981

Language:

english

File:

PDF, 2.86 MB

english, 1981

6

Methane/propane oxidation at high pressures: Experimental and detailed chemical kinetic modeling

Eric L. Petersen, Danielle M. Kalitan, Stefanie Simmons, Gilles Bourque, Henry J. Curran, John M. Simmie

Journal:

Proceedings of the Combustion Institute

Year:

2007

Language:

english

File:

PDF, 272 KB

english, 2007

7

Thermochemistry of Methyl and Ethyl Nitro, RNO 2 , and Nitrite, RONO, Organic Compounds †

Asatryan, Rubik, Bozzelli, Joseph W., Simmie, John M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 491 KB

english, 2008

8

The influence of fuel structure on combustion as demonstrated by the isomers of heptane: a rapid compression machine study

Emma J. Silke, Henry J. Curran, John M. Simmie

Journal:

Proceedings of the Combustion Institute

Year:

2005

Language:

english

File:

PDF, 317 KB

english, 2005

9

Ethyl lactate: a sinister molecule exhibiting high chemical diversity with potential as a âgreenâ solvent

WÃ¼rmel, Judith, Somers, Kieran P., Simmie, John M.

Journal:

International Journal of Chemical Kinetics

Year:

2020

File:

PDF, 669 KB

2020

10

The development of a detailed chemical kinetic mechanism for diisobutylene and comparison to shock tube ignition times

Wayne K. Metcalfe, William J. Pitz, Henry J. Curran, John M. Simmie, Charles K. Westbrook

Journal:

Proceedings of the Combustion Institute

Year:

2007

Language:

english

File:

PDF, 208 KB

english, 2007

11

Automatic comparison of thermodynamic data for species in detailed chemical kinetic modeling

John M. Simmie, Sébastien Rolland, Evan Ryder

Journal:

International Journal of Chemical Kinetics

Year:

2005

Language:

english

File:

PDF, 76 KB

english, 2005

12

Is tubularization of the mobilized urethral plate a better alternative to tubularization of an incised urethral plate for hypospadias repair?

Simmi K. Ratan, John Ratan, Kamal Nain Rattan

Journal:

Pediatric Surgery International

Year:

2009

Language:

english

File:

PDF, 259 KB

english, 2009

13

Discursive positioning of beginning teachers’ professional learning during induction: a critical literature review from 2004 to 2014

Simmie, Geraldine Mooney, de Paor, Cathal, Liston, Jennifer, O’Shea, John

Journal:

Asia-Pacific Journal of Teacher Education

Year:

2017

Language:

english

File:

PDF, 1.21 MB

english, 2017

14

Substituent effects in the thermochemistry of furans: A theoretical (CBS-QB3, CBS-APNO and G3) study

Simmie, John M., Somers, Kieran P., Metcalfe, Wayne K., Curran, Henry J.

Journal:

The Journal of Chemical Thermodynamics

Year:

2013

Language:

english

File:

PDF, 705 KB

english, 2013

15

Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels: Ethyl Propanoate and Methyl Butanoate †

El-Nahas, Ahmed M., Navarro, Maria V., Simmie, John M., Bozzelli, Joseph W., Curran, Henry J., Dooley, Stephen, Metcalfe, Wayne

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 591 KB

english, 2007

16

A Database of Formation Enthalpies of Nitrogen Species by Compound Methods (CBS-QB3, CBS-APNO, G3, G4)

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 485 KB

english, 2015

17

The comparison of detailed chemical kinetic mechanisms: Application to the combustion of methane

Sébastien Rolland, John M. Simmie

Journal:

International Journal of Chemical Kinetics

Year:

2004

Language:

english

File:

PDF, 69 KB

english, 2004

18

Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: A Litmus Test for Cost-Effective Molecular Formation Enthalpies

Simmie, John M., Somers, Kieran P.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 819 KB

english, 2015

19

[Green Energy and Technology] Cleaner Combustion || Multistep Kinetic Model of Biomass Pyrolysis

Battin-Leclerc, Frédérique, Simmie, John M., Blurock, Edward

Year:

2013

Language:

english

File:

PDF, 961 KB

english, 2013

20

Assessment of hybrid, meta-hybrid-GGA, and long-range corrected density functionals for the estimation of enthalpies of formation, barrier heights, and ionisation potentials of selected C1–C5 oxygenates

El-Nahas, Ahmed M., Simmie, John M., Mangood, Ahmed H., Hirao, Kimihiko, Song, Jong-Won, Watson, Mark A., Taketsugu, Tetsuya, Koga, Nobuaki

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 277 KB

english, 2015

21

Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: Formation Enthalpies of Radicals

Somers, Kieran Patrick, Simmie, John M

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1006 KB

english, 2015

22

An Organized Collection of Theoretical Gas-Phase Geometric, Spectroscopic, and Thermochemical Data of Oxygenated Hydrocarbons, C x H y O z (x, y = 1, 2; z = 1â8), of Relevance to Atmospheric, Astrochemical, and Combustion Sciences

Simmie, John M., WÃ¼rmel, Judith

Journal:

Journal of Physical and Chemical Reference Data

Year:

2020

File:

PDF, 3.33 MB

2020

23

The comparison of detailed chemical kinetic mechanisms; forward versus reverse rates with CHEMRev

Sébastien Rolland, John M. Simmie

Journal:

International Journal of Chemical Kinetics

Year:

2005

Language:

english

File:

PDF, 92 KB

english, 2005

24

Rate constants for hydrogen-abstraction by from n-butanol

Chong-Wen Zhou, John M. Simmie, Henry J. Curran

Journal:

Combustion and Flame

Year:

2011

Language:

english

File:

PDF, 453 KB

english, 2011

25

High-temperature oxidation of ethanol. Part 2.?Kinetic modelling

Dunphy, Mary P., Patterson, Patricia M., Simmie, John M.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1991

Language:

english

File:

PDF, 1.22 MB

english, 1991

26

[Green Energy and Technology] Cleaner Combustion || Modeling Combustion with Detailed Kinetic Mechanisms

Battin-Leclerc, Frédérique, Simmie, John M., Blurock, Edward

Year:

2013

Language:

english

File:

PDF, 910 KB

english, 2013

27

An ab initio/Rice-Ramsperger-Kassel-Marcus study of the hydrogen-abstraction reactions of methyl ethers, H3COCH3−x(CH3)x, x = 0–2, by ˙OH; mechanism and kinetics

Zhou, Chong-Wen, Simmie, John M., Curran, Henry J.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.50 MB

english, 2010

28

The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study

Somers, Kieran P., Simmie, John M., Metcalfe, Wayne K., Curran, Henry J.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.50 MB

english, 2014

29

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) - Hersonissos, Crete (Greece) (25–30 September 2008)] AIP Conference Proceedings - The Unimolecular Decomposition and H Abstraction Reactions by HO and HO[sub 2] from n-Butanol

Moc, Jerzy, Black, Gráinne, Simmie, John M., Curran, Henry J., Maroulis, George, Simos, Theodore E.

Year:

2009

Language:

english

File:

PDF, 498 KB

english, 2009

30

Allene isomerisation

Simmie, John M., Melvin, Deirdre

Journal:

Journal of the Chemical Society Faraday Transactions 1

Year:

1978

Language:

english

File:

PDF, 141 KB

english, 1978

31

Burning velocities of dimethyl ether and air

Catherine A Daly, John M Simmie, Judith Würmel, Nabiha DjebaÏli, Claude Paillard

Journal:

Combustion and Flame

Year:

2001

Language:

english

File:

PDF, 340 KB

english, 2001

32

Preliminary evaluation of safety and activity of recombinant human interleukin 11 in patients with active Crohn's disease

Bruce E. Sands*, Simmy Bank‡, Charles A. Sninsky§, Malcolm Robinson∥, Seymour Katz¶, John W. Singleton#, Philip B. Miner Jr.∥, Michael A. Safdi**, Susan Galandiuk‡‡, Stephen B. Hanauer§§, Gary W. Vari

Journal:

Gastroenterology

Year:

1999

Language:

english

File:

PDF, 101 KB

english, 1999

33

Kinetic study of a retro Diels–Alder reaction in a single-pulse shock tube: Decyclization of 1-methylcyclohex-1-ene

Journal:

International Journal of Chemical Kinetics

Year:

1978

Language:

english

File:

PDF, 277 KB

english, 1978

34

Shock tube ignition of ethanol, isobutene and MTBE: Experiments and modeling

Henry J. Curran, Mary P. Dunphy, John M. Simmie, Charles K. Westbrook, William J. Pitz

Journal:

Symposium (International) on Combustion:

Year:

1992

Language:

english

File:

PDF, 589 KB

english, 1992

35

The Ignition and Oxidation of Tetrahydropyran: Experiments and Kinetic Modeling

Dagaut, Philippe, McGUINNESS, MARGUERITE, Simmie, John, Cathonnet, Michel

Journal:

Combustion Science and Technology

Year:

1997

Language:

english

File:

PDF, 411 KB

english, 1997

36

Kinetics of 1,2-Dimethylbenzene Oxidation and Ignition: Experimental and Detailed Chemical Kinetic Modeling

Gaïl, Sandro, Dagaut, Philippe, Black, Gráinne, Simmie, John M.

Journal:

Combustion Science and Technology

Year:

2008

Language:

english

File:

PDF, 862 KB

english, 2008

37

Quantitative treatment of lanthanide-induced shifts for some carbohydrate systems where chelation is observed

Patrick McArdle, John P. O'Reilly, John Simmie, Elizabeth E. Lee

Journal:

Carbohydrate Research

Year:

1981

Language:

english

File:

PDF, 486 KB

english, 1981

38

Hydrogen Abstraction from n-Butanol by the Hydroxyl Radical: High Level Ab Initio Study of the Relative Significance of Various Abstraction Channels and the Role of Weakly Bound Intermediates

Moc, Jerzy, Simmie, John M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.93 MB

english, 2010

39

Large Benign Cystic Teratoma of the Mesosigmoid Causing Intestinal Obstruction: Report of a Case

Simmi K. Ratan, John Ratan, Rajan Kalra

Journal:

Year:

2002

Language:

english

File:

PDF, 1.12 MB

english, 2002

40

Harmonising Production, Properties and Environmental Consequences of Liquid Transport Fuels from Biomass-2,5-Dimethylfuran as a Case Study

Simmie, John M., Würmel, Judith

Journal:

Year:

2013

Language:

english

File:

PDF, 320 KB

english, 2013

41

Oxidation of dimethoxymethane in a jet-stirred reactor

Catherine A Daly, John M Simmie, Philippe Dagaut, Michel Cathonnet

Journal:

Combustion and Flame

Year:

2001

Language:

english

File:

PDF, 285 KB

english, 2001

42

A neonate with anorectal malformation with rare limb defects report of a case

Simmi K Ratan, Kamal Nain Rattan, John Ratan, Punita Kumari Sodhi, Vipin Bhatia

Journal:

Pediatric Surgery International

Year:

2005

Language:

english

File:

PDF, 183 KB

english, 2005

43

A shock tube and chemical kinetic modeling study of the pyrolysis and oxidation of butanols

Kenji Yasunaga, Takahiro Mikajiri, S. Mani Sarathy, Tohru Koike, Fiona Gillespie, Tibor Nagy, John M. Simmie, Henry J. Curran

Journal:

Combustion and Flame

Year:

2012

Language:

english

File:

PDF, 2.02 MB

english, 2012

44

Effects of molecular structure on oxidation reactivity of cyclic hydrocarbons: Experimental observations and conformational analysis

Yi Yang, André L. Boehman, John M. Simmie

Journal:

Combustion and Flame

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

45

A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene

Daniel Darcy, Colin J. Tobin, Kenji Yasunaga, John M. Simmie, Judith Würmel, Wayne K. Metcalfe, Tidjani Niass, Syed S. Ahmed, Charles K. Westbrook, Henry J. Curran

Journal:

Combustion and Flame

Year:

2012

Language:

english

File:

PDF, 1.45 MB

english, 2012

46

A Quantum Chemical Study of the Abnormal Reactivity of 2-Methoxyfuran

Simmie, John M., Somers, Kieran P., Yasunaga, Kenji, Curran, Henry J.

Journal:

International Journal of Chemical Kinetics

Year:

2013

Language:

english

File:

PDF, 859 KB

english, 2013

47

An experimental and kinetic modeling study of γ-valerolactone pyrolysis

De Bruycker, Ruben, Carstensen, Hans-Heinrich, Reyniers, Marie-Françoise, Marin, Guy B., Simmie, John M., Van Geem, Kevin M.

Journal:

Combustion and Flame

Year:

2015

Language:

english

File:

PDF, 3.37 MB

english, 2015

48

H-Atom Abstraction Reactions by Ground State Ozone from Saturated Oxygenates

Wurmel, Judith, Simmie, John M

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.49 MB

english, 2017

49

The oxidation of ethylene oxide in a jet-stirred reactor and its ignition in shock waves

Philippe Dagaut, David Voisin, Michel Cathonnet, Marguerite Mcguinness, John M. Simmie

Journal:

Combustion and Flame

Year:

1996

Language:

english

File:

PDF, 503 KB

english, 1996

50

Energy Barriers for the Addition of H, ĊH 3 , and Ċ 2 H 5 to CH 2 ═CHX [X = H, CH 3 , OH] and for H-Atom Addition to RCH═O [R = H, CH 3 , Ċ 2 H 5 , n -C 3 H 7 ]: Implications for the Gas-Phase Chemistry of Enols

Simmie, John M., Curran, Henry J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 229 KB

english, 2009

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