Pure and Applied Chemistry

CrossRef Cited-by Linking

• Gao Rui, Xu Fei, Li Shanqing, Hu Jingtian, Zhang Qingzhu, Wang Wenxing: Formation of bromophenoxy radicals from complete series reactions of bromophenols with H and OH radicals. Chemosphere 2013, 92, 382. <http://dx.doi.org/10.1016/j.chemosphere.2013.01.032>
• Canneaux Sébastien, Vandeputte Romain, Hammaecher Catherine, Louis Florent, Ribaucour Marc: Thermochemical Data and Additivity Group Values for Ten Species of o-Xylene Low-Temperature Oxidation Mechanism. J Phys Chem A 2012, 116, 592. <http://dx.doi.org/10.1021/jp208382t>
• Sebbar Nadia, Rutz Leonhard, Bockhorn Henning: Prediction of Thermodynamic and Kinetic Parameters for Interfacial Reactions of the SIO₂ System by Quantum Chemistry Methods. Soft Mat 2012, 10, 285. <http://dx.doi.org/10.1080/1539445X.2011.599723>
• Sebbar Nadia, Bozzelli Joseph W., Bockhorn Henning: Thermochemistry and Reaction Paths in the Oxidation Reaction of Benzoyl Radical: C₆H₅C^•(═O). J Phys Chem A 2011, 115, 11897. <http://dx.doi.org/10.1021/jp2078067>
• Sebbar Nadia, Bockhorn Henning, Bozzelli Joseph: Thermodynamic properties of the species resulting from the phenyl radical with O₂ reaction system. Int J Chem Kinet 2008, 40, 583. <http://dx.doi.org/10.1002/kin.20311>
• Egorova A. N., Vener M. V., Zhukov I. S., Kozak G. D., Tsirelson V. G.: Molecular structure, barriers to internal rotation, and the enthalpy of formation of cumene hydroperoxide PhCMe2OOH: a DFT study. Russ Chem Bull 2008, 57, 1179. <http://dx.doi.org/10.1007/s11172-008-0147-z>
• Sebbar N., Bockhorn H., Bozzelli J. W.: Thermochemical Similarities Among Three Reaction Systems: Vinyl + O₂ – Phenyl + O₂ – Dibenzofuranyl + O₂. Combust Sci Technol 2008, 180, 959. <http://dx.doi.org/10.1080/00102200801894455>
• Gomes José R. B., Liebman Joel F., Silva Manuel A. V. Ribeiro: The thermodynamics of the isomerization of cyanophenol and cyanothiophenol compounds. Struct Chem 2007, 18, 15. <http://dx.doi.org/10.1007/s11224-006-9074-5>
• da Silva Gabriel, Chen Chiung-Chu, Bozzelli Joseph W.: Bond dissociation energy of the phenol OH bond from ab initio calculations. chem phys letts 2006, 424, 42. <http://dx.doi.org/10.1016/j.cplett.2006.04.022>
• Sebbar Nadia, Bozzelli Joseph W., Bockhorn Henning: Enthalpy of formation and bond energies on unsaturated oxygenated hydrocarbons using G3MP2B3 calculation methods. Int J Chem Kinet 2005, 37, 633. <http://dx.doi.org/10.1002/kin.20086>
• Da Silva Manuel A. V. Ribeiro, Gomes José R. B.: Density functional theory study on the thermodynamic properties of aminophenols. Int J Quantum Chem 2005, 101, 860. <http://dx.doi.org/10.1002/qua.20347>
• Ribeiro da Silva Manuel A.V., Matos Maria Agostinha R., Amaral Luísa M.P.F.: Thermochemical studies of 1-hydroxyisoquinoline, 5-hydroxyisoquinoline and 1,5-dihydroxyisoquinoline. K J CHEM THERMODYN 2005, 37, 1312. <http://dx.doi.org/10.1016/j.jct.2005.03.009>
• Mayer James M., Rhile Ian J.: Thermodynamics and kinetics of proton-coupled electron transfer: stepwise vs. concerted pathways. Biochim Biophys Acta Bioenerg 2004, 1655, 51. <http://dx.doi.org/10.1016/j.bbabio.2003.07.002>
• Espinosa-Garcı́a J.: Theoretical enthalpies of formation and O–H bond dissociation enthalpy of an α-tocopherol model and its free radical. chem phys letts 2004, 388, 274. <http://dx.doi.org/10.1016/j.cplett.2004.03.023>
• Notario * Rafael, Roux † Maria Victoria, Liebman ‡ Joel F.: The energetics of the isomeric anthrols. Mole Phys 2004, 102, 623. <http://dx.doi.org/10.1080/00268970410001671549>
• Li Xian-Wei, Shibata Etsuro, Nakamura Takashi: Theoretical Calculation of Thermodynamic Properties of Polybrominated Dibenzo-p-dioxins. J Chemical & Engineering Data 2003, 48, 727. <http://dx.doi.org/10.1021/je0256582>
• VEREVKIN SERGEY P., ROUX MARIA VICTORIA, NOTARIO RAFAEL, DEMASTERS DOUGLAS E., LIEBMAN JOEL F.: The energetics of naphthalene derivatives. II. The isomeric 1— and 2—naphthyl acetates. Mole Phys 2003, 101, 3231. <http://dx.doi.org/10.1080/00268970310001620195>
• Li Xian-Wei, Shibata Etsuro, Nakamura Takashi: Thermodynamic Properties of Polybrominated Dibenzo-p-dioxins and Dibenzofurans Calculated by Density Functional Theory. Mater Trans JIM 2003, 44, 1004. <http://dx.doi.org/10.2320/matertrans.44.1004>
• Saito Nagahiro, Fuwa Akio: Prediction for thermodynamic function of dioxins for gas phase using semi-empirical molecular orbital method with PM3 Hamiltonian. Chemosphere 2000, 40, 131. <http://dx.doi.org/10.1016/S0045-6535(99)00215-5>
• Kim Ho-Tae, Green Richard J., Qian Jun, Anderson Scott L.: Proton transfer in the [phenol-NH[sub 3]][sup +] system: An experimental and ab initio study. J Chem Phys 2000, 112, 5717. <http://dx.doi.org/10.1063/1.481146>