-
1
-
-
0018403884
-
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
-
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
-
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
-
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
-
5
-
-
0029639166
-
The C-H bond energy of benzene
-
Davico, G.E.; Bierbaum, V.M.; DePuy, C.H.; Ellison, G.B.; Squires, R.R. The C-H Bond Energy of Benzene. J. Am. Chem. Soc. 1995, 117, 2590-2599.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 2590-2599
-
-
Davico, G.E.1
Bierbaum, V.M.2
DePuy, C.H.3
Ellison, G.B.4
Squires, R.R.5
-
6
-
-
0000181879
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
14
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K. Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskora, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacomebe, M.; Gill, P.M.W .; Johnson, B.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98, Revision A.9; Gaussian, Inc.: Pittsburgh, PA, 2000.
-
(2000)
Gaussian 98, Revision A.9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskora, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacomebe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
15
-
-
0001168528
-
Kinetics and mechanism of the gas-phase reaction of Cl atoms with benzene
-
Sokolov, O.; Hurley, M.D.; Wallington, T.J.; Kaiser, E.W.; Platz, J.; Nielsen, O.J.; Berho, F.; Rayez, M.-T.; Lesclaux, R. Kinetics and Mechanism of the Gas-Phase Reaction of Cl Atoms with Benzene. J. Phys. Chem. A 1998, 102, 10671-10681.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 10671-10681
-
-
Sokolov, O.1
Hurley, M.D.2
Wallington, T.J.3
Kaiser, E.W.4
Platz, J.5
Nielsen, O.J.6
Berho, F.7
Rayez, M.-T.8
Lesclaux, R.9
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