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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

Année:

2004

Langue:

english

Fichier:

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

Année:

1981

Langue:

english

Fichier:

PDF, 1024 KB

english, 1981

3

Detailed chemical kinetic models for the combustion of hydrocarbon fuels

Journal:

Progress in Energy and Combustion Science

Année:

2003

Langue:

english

Fichier:

PDF, 498 KB

english, 2003

4

[Green Energy and Technology] Cleaner Combustion ||

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

Année:

2013

Langue:

english

Fichier:

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

Année:

1981

Langue:

english

Fichier:

PDF, 2.86 MB

english, 1981

6

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

Année:

2015

Langue:

english

Fichier:

PDF, 277 KB

english, 2015

7

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

Sébastien Rolland, John M. Simmie

Journal:

International Journal of Chemical Kinetics

Année:

2004

Langue:

english

Fichier:

PDF, 69 KB

english, 2004

8

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

Sébastien Rolland, John M. Simmie

Journal:

International Journal of Chemical Kinetics

Année:

2005

Langue:

english

Fichier:

PDF, 92 KB

english, 2005

9

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

Année:

2005

Langue:

english

Fichier:

PDF, 76 KB

english, 2005

10

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

Année:

2009

Langue:

english

Fichier:

PDF, 259 KB

english, 2009

11

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

Année:

2013

Langue:

english

Fichier:

PDF, 705 KB

english, 2013

12

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

Année:

2008

Langue:

english

Fichier:

PDF, 491 KB

english, 2008

13

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

Année:

2007

Langue:

english

Fichier:

PDF, 591 KB

english, 2007

14

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

Année:

2015

Langue:

english

Fichier:

PDF, 819 KB

english, 2015

15

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

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

Année:

2013

Langue:

english

Fichier:

PDF, 961 KB

english, 2013

16

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

Année:

2015

Langue:

english

Fichier:

PDF, 1006 KB

english, 2015

17

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

Journal:

Journal of Physical Chemistry A

Année:

2015

Langue:

english

Fichier:

PDF, 485 KB

english, 2015

18

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

Année:

2017

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2017

19

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

Année:

2020

Fichier:

PDF, 3.33 MB

2020

20

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

Année:

2020

Fichier:

PDF, 669 KB

2020

21

Ketene Thermochemistry

John M. Simmie, Wayne K. Metcalfe, Henry J. Curran

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 126 KB

english, 2008

22

Barrier heights for H-atom abstraction by HȮ2 from n-butanol—A simple yet exacting test for model chemistries?

Gráinne Black, John M. Simmie

Journal:

Journal of Computational Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 455 KB

english, 2010

23

Autoignition of heptanes; experiments and modeling

John M. Smith, John M. Simmie, Henry J. Curran

Journal:

International Journal of Chemical Kinetics

Année:

2005

Langue:

english

Fichier:

PDF, 121 KB

english, 2005

24

Thermochemistry for enthalpies and reaction paths of nitrous acid isomers

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

Journal:

International Journal of Chemical Kinetics

Année:

2007

Langue:

english

Fichier:

PDF, 429 KB

english, 2007

25

Rate constants for hydrogen abstraction by HȮ2 from n-butanol

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

Journal:

International Journal of Chemical Kinetics

Année:

2012

Langue:

english

Fichier:

PDF, 542 KB

english, 2012

26

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

Année:

1978

Langue:

english

Fichier:

PDF, 277 KB

english, 1978

27

Preliminary observations on the high temperature oxidation of ethyl tert-butyl ether

Mary P. Dunphy, John M. Simmie

Journal:

International Journal of Chemical Kinetics

Année:

1991

Langue:

english

Fichier:

PDF, 303 KB

english, 1991

28

Combustion of methyl tert-butyl ether. Part I: Ignition in Shock waves

Mary P. Dunphy, John M. Simmie

Journal:

Combustion and Flame

Année:

1991

Langue:

english

Fichier:

PDF, 609 KB

english, 1991

29

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

Année:

1996

Langue:

english

Fichier:

PDF, 503 KB

english, 1996

30

The reactions of sulfuryl chloride with [Fe2(η-C5H5)2(CO)4-n(CNMe)n] (n = 0, 1, 2 and 4) and related complexes. The crystal structure of [Fe(η5-C9H7)(CO)3] [FeCl4]

A.R. Manning, Gerard McNally, Desmond Cunningham, Patrick McArdle, John M. Simmie

Journal:

Journal of Organometallic Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 751 KB

english, 1988

31

The elimination of water from a conformationally complex alcohol: A computational study of the gas phase dehydration of n-butanol

Jerzy Moc, John M. Simmie, Henry J. Curran

Journal:

Journal of Molecular Structure

Année:

2009

Langue:

english

Fichier:

PDF, 999 KB

english, 2009

32

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

Année:

2010

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2010

33

Uniqueness in the low temperature oxidation of cycloalkanes

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

Journal:

Combustion and Flame

Année:

2010

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2010

34

Rate constants for hydrogen-abstraction by from n-butanol

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

Journal:

Combustion and Flame

Année:

2011

Langue:

english

Fichier:

PDF, 453 KB

english, 2011

35

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

Année:

2005

Langue:

english

Fichier:

PDF, 317 KB

english, 2005

36

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

Année:

2007

Langue:

english

Fichier:

PDF, 208 KB

english, 2007

37

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

Année:

2007

Langue:

english

Fichier:

PDF, 272 KB

english, 2007

38

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

Année:

1981

Langue:

english

Fichier:

PDF, 486 KB

english, 1981

39

Oxidation of dimethoxymethane in a jet-stirred reactor

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

Journal:

Combustion and Flame

Année:

2001

Langue:

english

Fichier:

PDF, 285 KB

english, 2001

40

Burning velocities of dimethyl ether and air

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

Journal:

Combustion and Flame

Année:

2001

Langue:

english

Fichier:

PDF, 340 KB

english, 2001

41

Ignition of alkyl nitrate/oxygen/argon mixtures in shock waves and comparisons with alkanes and amines

Adrian Toland, John M. Simmie

Journal:

Combustion and Flame

Année:

2003

Langue:

english

Fichier:

PDF, 144 KB

english, 2003

42

The ignition of oxetane in shock waves and oxidation in a jet-stirred reactor: An experimental and kinetic modeling study

Philippe Dagaut, Michel Cathonnet, Marguerite McGuinness, John M. Simmie

Journal:

Combustion and Flame

Année:

1997

Langue:

english

Fichier:

PDF, 624 KB

english, 1997

43

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:

Année:

1992

Langue:

english

Fichier:

PDF, 589 KB

english, 1992

44

The ignition and oxidation of allene and propyne: Experiments and kinetic modeling

Henry Curran, John M. Simmie, Philippe Dagaut, David Voisin, Michel Cathonnet

Journal:

Symposium (International) on Combustion:

Année:

1996

Langue:

english

Fichier:

PDF, 333 KB

english, 1996

45

The oxidation and ignition of dimethylether from low to high temperature (500–1600 K): Experiments and kinetic modeling

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

Journal:

Symposium (International) on Combustion:

Année:

1998

Langue:

english

Fichier:

PDF, 146 KB

english, 1998

46

Risk factors for mortality within first 24 hours of head injury

Simmi K. Ratan, Ravindra M. Pandey, Rajiv Kulsreshtha, John Ratan

Journal:

Indian Journal of Pediatrics

Année:

2002

Langue:

english

Fichier:

PDF, 539 KB

english, 2002

47

Perineal accessory scrotum

Simmi K. Ratan, K. N. Rattan, Tapeshwar Sehgal, John Ratan

Journal:

Indian Journal of Pediatrics

Année:

2003

Langue:

english

Fichier:

PDF, 395 KB

english, 2003

48

Lipoblastoma of the neck

Simmi K. Ratan, Anju Gambhir, S. Mullick, John Ratan

Journal:

Indian Journal of Pediatrics

Année:

2000

Langue:

english

Fichier:

PDF, 549 KB

english, 2000

49

Temporary transgastric fistula occlusion as salvage procedure in neonates with esophageal atresia with wide distal fistula and moderate to severe pneumonia

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

Journal:

Pediatric Surgery International

Année:

2005

Langue:

english

Fichier:

PDF, 230 KB

english, 2005

50

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

Année:

2005

Langue:

english

Fichier:

PDF, 183 KB

english, 2005