-
1
-
-
77956855114
-
Detailed chemical kinetic modeling: Chemical reaction engineering of the future
-
Senkan S. M. Detailed chemical kinetic modeling: chemical reaction engineering of the future. Adv. Chem. Eng. 1992, 18, 95-196.
-
(1992)
Adv. Chem. Eng.
, vol.18
, pp. 95-196
-
-
Senkan, S.M.1
-
2
-
-
0036628051
-
Simulating cyclohexane milisecond oxidation: Coupled chemistry and fluid dynamics
-
O'Connor R. P.; Schmidt L. D.; Detschmann O. Simulating cyclohexane milisecond oxidation: coupled chemistry and fluid dynamics. AIChE J. 2002, 48, 1241-1246.
-
(2002)
AIChE J.
, vol.48
, pp. 1241-1246
-
-
O'Connor, R.P.1
Schmidt, L.D.2
Detschmann, O.3
-
3
-
-
0035911177
-
Kinetic model of cyclohexane oxidation
-
Pohorecki, R.; Baldyga, J.; Moniuk, W.; Podgorska, W.; Zdrojkowski, A.; Wierzchowski, P. T. Kinetic model of cyclohexane oxidation. Chem. Eng. Sci. 2001, 56, 1285-1291.
-
(2001)
Chem. Eng. Sci.
, vol.56
, pp. 1285-1291
-
-
Pohorecki, R.1
Baldyga, J.2
Moniuk, W.3
Podgorska, W.4
Zdrojkowski, A.5
Wierzchowski, P.T.6
-
4
-
-
2942676526
-
Kinetic modeling of liquid-phase oxidation of cyclohexane
-
Bhattacharya, A.; Mungikar, A. Kinetic modeling of liquid-phase oxidation of cyclohexane. Can. J. Chem. Eng. 2003, 81, 220-229.
-
(2003)
Can. J. Chem. Eng.
, vol.81
, pp. 220-229
-
-
Bhattacharya, A.1
Mungikar, A.2
-
6
-
-
0003720349
-
-
Krieger Publ. Co.: Malabar, FL
-
Stull, D. R.; Westrum, E. F., Jr.; Sinke, G. C. The Chemical Thermodynamics of Organic Compounds; Krieger Publ. Co.: Malabar, FL, 1987.
-
(1987)
The Chemical Thermodynamics of Organic Compounds
-
-
Stull, D.R.1
Westrum Jr., E.F.2
Sinke, G.C.3
-
7
-
-
0000544337
-
Thermochemistry of free radicals
-
Kochi, J. K., Ed.; Wiley: New York, Chapter 17
-
O'Neal, H. E.; Benson, S. W. Thermochemistry of free radicals. In Free Radicals; Kochi, J. K., Ed.; Wiley: New York, 1973; Chapter 17.
-
(1973)
Free Radicals
-
-
O'Neal, H.E.1
Benson, S.W.2
-
9
-
-
0001983968
-
Heat of formation of organic free radicals by kinetic methods
-
Martinho Simoes, J. A., Greenberg, A., Leibman, J. F., Eds.; Blackie Academic and Professional: London
-
Tsang, W. Heat of formation of organic free radicals by kinetic methods. In Energetics of Organic Free Radicals; Martinho Simoes, J. A., Greenberg, A., Leibman, J. F., Eds.; Blackie Academic and Professional: London, 1996; pp 22-58.
-
(1996)
Energetics of Organic Free Radicals
, pp. 22-58
-
-
Tsang, W.1
-
11
-
-
0036708506
-
Mass spectrometry of free radicals
-
Sablier, M.; Fujii, T. Mass spectrometry of free radicals. Chem. Ref. 2002, 102, 2855-2924.
-
(2002)
Chem. Ref.
, vol.102
, pp. 2855-2924
-
-
Sablier, M.1
Fujii, T.2
-
13
-
-
0141917879
-
-
Linstrom, P. J., Mallard, W. G., Eds. NIST Standard Reference Database Number 69; June National Institute of Standards and Technology, Gaithersburg, MD
-
Linstrom, P. J., Mallard, W. G., Eds. NIST Chemistry WebBook. NIST Standard Reference Database Number 69; June 2005; National Institute of Standards and Technology, Gaithersburg, MD (http://webbook.nist-.gov/chemistry).
-
(2005)
NIST Chemistry WebBook
-
-
-
15
-
-
0000773271
-
Estimation of heats of formation of organic compounds by additivity methods
-
Cohen N.; Benson, S. W. Estimation of heats of formation of organic compounds by additivity methods. Chem. Rev. 1993, 93, 2419-2438.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2419-2438
-
-
Cohen, N.1
Benson, S.W.2
-
16
-
-
0028517402
-
New group contribution method for estimating properties of pure compounds
-
Constantinou, L.; Gani, R. New group contribution method for estimating properties of pure compounds. AIChE J. 1994, 40, 1697-1710.
-
(1994)
AIChE J.
, vol.40
, pp. 1697-1710
-
-
Constantinou, L.1
Gani, R.2
-
17
-
-
33845807010
-
Additivity rules for the estimation of thermochemical properties
-
Benson, S. W.; Cruickshank, F. R.; Golden, D. M.; Haugen, G. R.; O'Neal, H. E.; Rodgers, A. S.; Shaw, R.; Walsh, R. Additivity rules for the estimation of thermochemical properties. Chem. Rev. 1969, 69, 279-324.
-
(1969)
Chem. Rev.
, vol.69
, pp. 279-324
-
-
Benson, S.W.1
Cruickshank, F.R.2
Golden, D.M.3
Haugen, G.R.4
O'Neal, H.E.5
Rodgers, A.S.6
Shaw, R.7
Walsh, R.8
-
18
-
-
11744252033
-
Additivity rules for the estimation of molecular properties, thermodynamic properties
-
Benson, S. W.; Buss, J. H. Additivity rules for the estimation of molecular properties, thermodynamic properties. J. Chem. Phy. 1958, 29, 546-572.
-
(1958)
J. Chem. Phy.
, vol.29
, pp. 546-572
-
-
Benson, S.W.1
Buss, J.H.2
-
20
-
-
0000666048
-
Thermochemistry of alkyl free radicals
-
Cohen, N. Thermochemistry of alkyl free radicals. J.Phys. Chem. 1992, 96, 9052-9058.
-
(1992)
J.Phys. Chem.
, vol.96
, pp. 9052-9058
-
-
Cohen, N.1
-
21
-
-
33845182889
-
The relaxed and spectroscopic energies of olefin triplets
-
Ni, T.; Caldwell, R. A.; Melton, L. A. The relaxed and spectroscopic energies of olefin triplets. J. Am. Chem. Soc. 1989, 111, 457-464.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 457-464
-
-
Ni, T.1
Caldwell, R.A.2
Melton, L.A.3
-
23
-
-
0011227387
-
Estimation of free radical group enthalpy of formation values. Application to estimation of bond dissociation energies in perfluro alkylbenzenes
-
Dilling, W. L. Estimation of free radical group enthalpy of formation values. Application to estimation of bond dissociation energies in perfluro alkylbenzenes. J. Org. Chem. 1990, 55, 3286-3291.
-
(1990)
J. Org. Chem.
, vol.55
, pp. 3286-3291
-
-
Dilling, W.L.1
-
24
-
-
33644587251
-
Thermochemistry of organic peroxides, hydroperoxides, polyoxides, and their radicals
-
Swern, D., Ed.; Wiley-Interscience: New York, Chapter II
-
Benson, S. W.; Shaw, R. Thermochemistry of organic peroxides, hydroperoxides, polyoxides, and their radicals. In Organic Peroxide, Vol. 1; Swern, D., Ed.; Wiley-Interscience: New York, 1970; Chapter II.
-
(1970)
Organic Peroxide
, vol.1
-
-
Benson, S.W.1
Shaw, R.2
-
25
-
-
77956804236
-
-
Bamford, C. H., Tipper, C. F. H., Eds. Elsevier Scientific Publishing Company: New York
-
Bamford, C. H., Tipper, C. F. H., Eds. Comprehensive Chemical Kinetics, Vol. 16; Elsevier Scientific Publishing Company: New York, 1980.
-
(1980)
Comprehensive Chemical Kinetics
, vol.16
-
-
-
26
-
-
0001386082
-
Review of the heat of formation of the hydroperoxy radical
-
Shum, L. G. S.; Benson, S. W. Review of the heat of formation of the hydroperoxy radical. J. Phys. Chem. 1983, 87, 3479-3482
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 3479-3482
-
-
Shum, L.G.S.1
Benson, S.W.2
-
27
-
-
0000938320
-
Some observations on the thermochemistry and kinetics of peroxy radicals
-
Benson, S. W. Some observations on the thermochemistry and kinetics of peroxy radicals. J. Phys. Chem. 1996, 100, 13544-13547.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 13544-13547
-
-
Benson, S.W.1
-
30
-
-
0001226023
-
Kinetics of the thermal decomposition of di-tert-butyl peroxide
-
Murawski, J.; Roberts, J. S.; Szwarc, M. Kinetics of the thermal decomposition of di-tert-butyl peroxide. J. Chem. Phys. 1951, 19, 698-704.
-
(1951)
J. Chem. Phys.
, vol.19
, pp. 698-704
-
-
Murawski, J.1
Roberts, J.S.2
Szwarc, M.3
-
31
-
-
0007124696
-
Decomposition of di-t-alkyl peroxide. IV. Decomposition of pure liquid peroxide
-
Bell, E. R.; Rust, F. F.; Vaughan, W. E. Decomposition of di-t-alkyl peroxide. IV. Decomposition of pure liquid peroxide. J. Am. Chem. Soc. 1950, 72, 337-338.
-
(1950)
J. Am. Chem. Soc.
, vol.72
, pp. 337-338
-
-
Bell, E.R.1
Rust, F.F.2
Vaughan, W.E.3
-
32
-
-
0005595092
-
Decomposition of di-t-alkyl peroxides. III. Kinetics in liquid phase
-
Raley, J. H.; Rust, F. F.; Vaughan, W. E. Decomposition of di-t-alkyl peroxides. III. Kinetics in liquid phase. J. Am. Chem. Soc. 1948, 70, 1336-1338.
-
(1948)
J. Am. Chem. Soc.
, vol.70
, pp. 1336-1338
-
-
Raley, J.H.1
Rust, F.F.2
Vaughan, W.E.3
-
33
-
-
33947450403
-
The chemistry of hydroperoxides. VI. The thermal decomposition of α-cumyl hydroperoxide
-
Kharasch, M. S.; Fono, A.; Nudenberg, W. The chemistry of hydroperoxides. VI. The thermal decomposition of α-cumyl hydroperoxide. J. Org. Chem. 1951, 16, 113-127.
-
(1951)
J. Org. Chem.
, vol.16
, pp. 113-127
-
-
Kharasch, M.S.1
Fono, A.2
Nudenberg, W.3
-
34
-
-
21244476281
-
A General kinetic model framework for the interpretation of adiabatic calorimeter rate data
-
Bhattacharya, A. A General kinetic model framework for the interpretation of adiabatic calorimeter rate data. Chem. Eng. J. 2005, 110, 67-78.
-
(2005)
Chem. Eng. J.
, vol.110
, pp. 67-78
-
-
Bhattacharya, A.1
-
35
-
-
0038310831
-
Comprehensive kinetic model for adiabatic decomposition of di-tert-butyl peroxide using batch CAD
-
Iijuka, Y.; Surianarayanan, M. Comprehensive kinetic model for adiabatic decomposition of di-tert-butyl peroxide using batch CAD. Ind. Eng. Chem. Res. 2003, 42, 2987-2995.
-
(2003)
Ind. Eng. Chem. Res.
, vol.42
, pp. 2987-2995
-
-
Iijuka, Y.1
Surianarayanan, M.2
-
36
-
-
0001915044
-
Thermal runway reactions in a low thermal inertia apparatus
-
Leung, J. C.; Fauske, H. K.; Fisher, H. G. Thermal runway reactions in a low thermal inertia apparatus. Thermochim. Acta 1986, 104, 13-29.
-
(1986)
Thermochim. Acta
, vol.104
, pp. 13-29
-
-
Leung, J.C.1
Fauske, H.K.2
Fisher, H.G.3
-
37
-
-
0041689437
-
Three methods to measure RH bond energies
-
Berkowitz, J.; Ellison, G. B.; Gutman, D. Three methods to measure RH bond energies. J. Phys. Chem. 1994, 98, 2744-2765.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2744-2765
-
-
Berkowitz, J.1
Ellison, G.B.2
Gutman, D.3
-
39
-
-
0001384114
-
Heat of formation of alkyl radicals from appearance energies
-
Holmes, J. L.; Losing, F. P.; Maccoll, A. Heat of formation of alkyl radicals from appearance energies. J. Am. Chem. Soc. 1988, 110, 7339-7342.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 7339-7342
-
-
Holmes, J.L.1
Losing, F.P.2
Maccoll, A.3
-
40
-
-
0000767606
-
Heat of formation of some simple alkyl radicals
-
Castelhano, A. L.; Griller, D. Heat of formation of some simple alkyl radicals. J. Am. Chem. Soc. 1982, 104, 3655-3659.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 3655-3659
-
-
Castelhano, A.L.1
Griller, D.2
-
41
-
-
11744269187
-
Structural and thermochemical properties of hydroxymethyl radical and cation from observations of electronic spectra
-
Johnson, R. D., III; Hudgens, J. W. Structural and thermochemical properties of hydroxymethyl radical and cation from observations of electronic spectra. J. Phys. Chem.1996, 100, 19874-19890.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 19874-19890
-
-
Johnson III, R.D.1
Hudgens, J.W.2
-
42
-
-
0000082102
-
Heats of formation of organic radicals from appearance energies
-
Holmes, J. L.; Lossing, F. P. Heats of formation of organic radicals from appearance energies. Int. J. Mass Spectrom. Ion Processes 1984, 58, 113-120.
-
(1984)
Int. J. Mass Spectrom. Ion Processes
, vol.58
, pp. 113-120
-
-
Holmes, J.L.1
Lossing, F.P.2
-
43
-
-
0000801872
-
Heats of formation of oxygen-containing free-radicals from appearance energy measurements
-
Holmes, J. L.; Lossing, F. P.; Mayer, P. M. Heats of formation of oxygen-containing free-radicals from appearance energy measurements. J. Am. Chem. Soc. 1991, 113, 9723-9728.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 9723-9728
-
-
Holmes, J.L.1
Lossing, F.P.2
Mayer, P.M.3
-
44
-
-
33845374425
-
Heat of formation and homolytic bond dissociation energies in the ket-enol tautomers of acetaldehyde and acetone
-
Holmes, J. L.; Lossing, F. P. Heat of formation and homolytic bond dissociation energies in the ket-enol tautomers of acetaldehyde and acetone. J. Am. Chem. Soc. 1986, 108, 1086-1087.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 1086-1087
-
-
Holmes, J.L.1
Lossing, F.P.2
-
45
-
-
0000708871
-
Thermochemical properties of peroxides and peroxyl radicals
-
Jonsson, M. Thermochemical properties of peroxides and peroxyl radicals. J. Phys. Chem. 1996, 100, 6814-6818.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 6814-6818
-
-
Jonsson, M.1
-
46
-
-
0027589391
-
Kinetics and thermochemistry of the reaction of benzyl radical with oxygen: Investigations by discharge flow/laser induced fluoroscence between 393 and 433 K
-
Elmaimouni, L.; Minetti, R.; Sawerysyn, J. P.; Devolder, J. P. Kinetics and thermochemistry of the reaction of benzyl radical with oxygen: investigations by discharge flow/laser induced fluoroscence between 393 and 433 K. Int. J. Chem. Kinet. 1993, 25, 399-413.
-
(1993)
Int. J. Chem. Kinet.
, vol.25
, pp. 399-413
-
-
Elmaimouni, L.1
Minetti, R.2
Sawerysyn, J.P.3
Devolder, J.P.4
-
47
-
-
0001177450
-
2 + M between 248 and 393 K and between 30 and 760 Torr
-
2 + M between 248 and 393 K and between 30 and 760 Torr. J. Phys. Chem. 1991, 95, 3594-3600.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 3594-3600
-
-
Bridler, I.1
Caralp, F.2
Loirat, H.3
Lesclaux, R.4
Veyret, B.5
Becker, K.H.6
Reimer, A.7
Zabel, F.8
-
48
-
-
0000383019
-
Kinetics and equilibria in the system atomic bromine + methyl hydroperoxide (MeOOH)⇄hydrogen bromide + methyl-peroxyl radical (MeOO)
-
Kondo, O.; Benson, S. W. Kinetics and equilibria in the system atomic bromine + methyl hydroperoxide (MeOOH)⇄hydrogen bromide + methyl-peroxyl radical (MeOO). J. Phys. Chem. 1984, 88, 6675-6680.
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 6675-6680
-
-
Kondo, O.1
Benson, S.W.2
-
49
-
-
0001358573
-
2 bond in alkyl and chloro-alkyl peroxy radicals
-
2 bond in alkyl and chloro-alkyl peroxy radicals. J. Phys. Chem. A. 1998, 102, 1770-1778.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1770-1778
-
-
Knyazev, V.D.1
Slagle, I.R.2
-
50
-
-
0001134243
-
Photoelectron spectroscopy, gas-phase acidity and thermochemistry of tert-butyl hydroperoxide: Mechanisms for the rearrangement of peroxyl radicals
-
Clifford, E. P.; Wenthold, P. G.; Garaeyev, R.; Lineberger, W. C.; DePuy, C. H.; Bierbaum, V. M.; Ellison, G. B. Photoelectron spectroscopy, gas-phase acidity and thermochemistry of tert-butyl hydroperoxide: mechanisms for the rearrangement of peroxyl radicals. J. Chem. Phys. 1998, 109, 10293-10298.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10293-10298
-
-
Clifford, E.P.1
Wenthold, P.G.2
Garaeyev, R.3
Lineberger, W.C.4
Depuy, C.H.5
Bierbaum, V.M.6
Ellison, G.B.7
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