메뉴 건너뛰기




Volumn 42, Issue 2, 2002, Pages 284-289

Reaction space map representation of the chlorination/dechlorination reactions of polychlorobenzenes

Author keywords

[No Author keywords available]

Indexed keywords

REACTION SPACE MAPS;

EID: 0036522733     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0103119     Document Type: Article
Times cited : (4)

References (15)
  • 1
    • 0018403884 scopus 로고
    • Formation of polychlorinated dibenzofurans (PCDFs) from the pyrolysis of individual PCB isomers
    • Buser, H.R.; Rappe, C. Formation of Polychlorinated Dibenzofurans (PCDFs) from the Pyrolysis of Individual PCB Isomers. Chemosphere 1979, 8, 157-174.
    • (1979) Chemosphere , vol.8 , pp. 157-174
    • Buser, H.R.1    Rappe, C.2
  • 2
    • 0001544060 scopus 로고
    • Semiempirical molecular orbital estimation of the relative stability of polychlorihated biphenyl isomers produced by o-dichlorobenzene pyrolysis
    • Mulholland, J.A.; Sarofim, A.F.; Rutledge, G.C. Semiempirical Molecular Orbital Estimation of the Relative Stability of Polychlorihated Biphenyl Isomers Produced by o-Dichlorobenzene Pyrolysis. J. Phys. Chem. 1993, 97, 6890-6896.
    • (1993) J. Phys. Chem. , vol.97 , pp. 6890-6896
    • Mulholland, J.A.1    Sarofim, A.F.2    Rutledge, G.C.3
  • 3
    • 0032104834 scopus 로고    scopus 로고
    • Patterns of isomers of chlorinated dibenzo-p-dioxins as tool for elucidation of thermal formation mechanisms
    • Wehrmeier, A.; Lenoir, D.; Schramm, K.-W.; Zimmermann, R.; Hahn, K.; Henkelmann, B.; Kettrup, A. Patterns of Isomers of Chlorinated Dibenzo-p-dioxins as Tool for Elucidation of Thermal Formation Mechanisms. Chemosphere 1998, 36, 2775-2801.
    • (1998) Chemosphere , vol.36 , pp. 2775-2801
    • Wehrmeier, A.1    Lenoir, D.2    Schramm, K.-W.3    Zimmermann, R.4    Hahn, K.5    Henkelmann, B.6    Kettrup, A.7
  • 4
    • 0041689437 scopus 로고
    • Three methods to measure RH bond energies
    • Berkovitz, 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
    • Berkovitz, J.1    Ellison, G.B.2    Gutman, D.3
  • 6
    • 0000181879 scopus 로고
    • Homopolar- and heteropolar bond dissociation energies and heats of formation of radicals and ions in the gas phase. I - Data on organic molecules
    • Egger, K.W.; Cocks, A.T. Homopolar- and Heteropolar Bond Dissociation Energies and Heats of Formation of Radicals and Ions in the Gas Phase. I. Data on Organic Molecules. Helv. Chim. Acta 1973, 56, 1516-1536.
    • (1973) Helv. Chim. Acta , vol.56 , pp. 1516-1536
    • Egger, K.W.1    Cocks, A.T.2
  • 7
    • 0001209471 scopus 로고
    • Determination of bond dissociation energies from dissociative thermal electron attachment
    • Chen, E.C.M.; Albyn, K.; Dussack, L.; Wentworth, W.E. Determination of Bond Dissociation Energies from Dissociative Thermal Electron Attachment. J. Phys. Chem. 1989, 93, 6827-6832.
    • (1989) J. Phys. Chem. , vol.93 , pp. 6827-6832
    • Chen, E.C.M.1    Albyn, K.2    Dussack, L.3    Wentworth, W.E.4
  • 8
    • 0030784375 scopus 로고    scopus 로고
    • Energetics of the homolytic C-H and C-Cf bond cleavages in polychlorobenzenes: The role of electronic and steric effects
    • Cioslowski, J.; Liu, G.; Moncrieff, D. Energetics of the Homolytic C-H and C-Cf Bond Cleavages in Polychlorobenzenes: The Role of Electronic and Steric Effects. J. Phys. Chem. A 1997, 101, 957-960.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 957-960
    • Cioslowski, J.1    Liu, G.2    Moncrieff, D.3
  • 9
    • 0030570257 scopus 로고    scopus 로고
    • Energetics and site specificity of the homolytic c-h bond cleavage in benzenoid hydrocarbons: An ab initio electronic structure study
    • Cioslowski, J.; Liu, G.; Martinov, M.; Piskorz, P.; Moncrieff, D. Energetics and Site Specificity of the Homolytic C-H Bond Cleavage in Benzenoid Hydrocarbons: An Ab Initio Electronic Structure Study. J. Am. Chem. Soc. 1996, 118, 5261-5264.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 5261-5264
    • Cioslowski, J.1    Liu, G.2    Martinov, M.3    Piskorz, P.4    Moncrieff, D.5
  • 10
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III - The role of exact exchange
    • Becke, A.D. Density-functional Thermochemistry. III. The Role of Exact Exchange. J. Chem. Phys. 1993, 98, 5648-5652.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 11
    • 0345491105 scopus 로고
    • Development of the cotle-salvetti correlation-energy formula into a functional of the electron density
    • Lee, C.; Yang, W.; Parr, R.G. Development of the Cotle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density. Phys. Rev. B 1988, 37, 785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 12
    • 33751157732 scopus 로고
    • Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
    • Stephens, P.J.; Devlin, F.J.; Chabalowski, C.F.; Frisch, M.J. Ab initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields. J. Phys. Chem. 1994, 98, 11623-11627.
    • (1994) J. Phys. Chem. , vol.98 , pp. 11623-11627
    • Stephens, P.J.1    Devlin, F.J.2    Chabalowski, C.F.3    Frisch, M.J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.