Thermochemical Properties (Δ_fH°(298 K), S°(298 K), C_p(T)) and Bond Dissociation Energies for C1–C4 Normal Hydroperoxides and Peroxy Radicals

10.1016/j.combustflame.2015.01.027

10.1016/j.combustflame.2014.11.002

Wang, Z.; Zhang, L.; Shankar, V.S.B.; Moshammer, K.; Vaida, D. M. P.; Lucassen, A.; Hemken, C.; Vuilleumier, D.; Hansen, N.; Dagaut, P.; Sarathy, S. M.New Insights Into the Low-Temperature Oxidation Chemistry of 2-Methylhexane. In9th U.S. National Combustion Meeting, Cincinnati, Ohio, 2015.

10.1021/jp211560u

10.1039/c1cp21357a

10.1021/jp9098792

10.1021/jp070342s

10.1021/jp075144f

Van, M. A.; Ploemen, I. H. J.Improvements Relating to Alkylene Oxide Production. Patent WO2015101641 A1, 2015.

Benson S. W., 1976, Thermochemical Kinetics

10.1039/jr9650006970

10.1063/1.1700495

10.1021/jp972103i

Pedley J. B., 1986, Thermochemical Data of Organic Compounds, 2, 10.1007/978-94-009-4099-4

10.1039/f19726802224

10.1021/ja01304a019

Osborne N. S., 1947, J. Res. Natl. Bur. Stand., 38, 627, 10.6028/jres.038.043

10.1039/jr9650006970

Blat E. I., 1939, Acta Physicochim. U. R. S. S., 61, 1539

10.1039/tf9403500606

10.1039/df9511000278

10.1063/1.4902535

10.1021/jp993111x

10.1021/jp014540+

10.1021/jp021179y

10.1021/jp031067m

10.1002/kin.20035

10.1021/jp711360z

10.1021/jp303819e

Khursan S. L., 1991, Russ. J. Phys. Chem. (Engl. Transl.), 65, 321

Ruscic, B., Active Thermochemical Tables: version Alpha 1.110 of the Core (Argonne) Thermochemical Network. 2011.

10.1063/1.1928228

10.1021/ja010942j

10.1002/kin.550141107

10.1021/jp9726091

10.1021/ja00305a003

10.1063/1.555988

10.1021/ja01073a003

10.1021/j100472a006

Frisch M. J., 2009, Gaussian 09

10.1063/1.464913

10.1007/s00214-007-0310-x

10.1063/1.2436888

10.1063/1.481224

10.1063/1.470985

10.1021/acs.jpca.5b03912

Johnson R. D., 2013, NIST Computational Chemistry Comparison and Benchmark Database

Sheng C., 2002, Elementary, Pressure Dependent Model for Combustion of C1, C2 and Nitrogen Containing Hydrocarbons: Operation of A Pilot Scale Incinerator and Model Comparison

10.1021/jp952976h

Goos E., 2014, Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables

Chase M. W. J., 1998, J. Phys. Chem. Ref. Data, 9, 1

Cox J. D., 1989, CODATA Key Values for Thermodynamics

10.1021/ar020230d

10.1021/jp056311j

Tsang W., 1996, Heats of Formation of Organic Free Radicals by Kinetic Methods in Energetics of Organic Free Radicals

10.1021/jp991227n

10.1021/ja961838i

10.1002/kin.550090105

10.1021/j150670a034

10.1021/jp9601126

10.1016/S0166-1280(03)00326-9

10.1016/j.cplett.2004.12.070

10.1021/jp027471n

Luo Y.-R., 2003, Handbook of Bond Dissociation Energies in Organic Compounds

10.1021/jp050444n