-
2
-
-
34247494222
-
The Chemistry and Analysis of Large PAHs
-
J. C. Fetzer, The Chemistry and Analysis of Large PAHs, Polycyclic Aromatic Compounds 27 (2007): 143-162.
-
(2007)
Polycyclic Aromatic Compounds
, vol.27
, pp. 143-162
-
-
Fetzer, J.C.1
-
3
-
-
0002931995
-
Benzenoid Hydrocarbons in Space: The Evidence and Implications
-
L. J. Allamandola, Benzenoid Hydrocarbons in Space: The Evidence and Implications, Topics in Current Chemistry 153 (1990): 1-26.
-
(1990)
Topics in Current Chemistry
, vol.153
, pp. 1-26
-
-
Allamandola, L.J.1
-
4
-
-
0029878243
-
Analytical Techniques for Large Polycyclic Aromatic Hydrocarbons: A Review
-
W. R. Biggs and J. C. Fetzer, Analytical Techniques for Large Polycyclic Aromatic Hydrocarbons: A Review, Trends in Analytical Chemistry 15 (1996): 196-206.
-
(1996)
Trends in Analytical Chemistry
, vol.15
, pp. 196-206
-
-
Biggs, W.R.1
Fetzer, J.C.2
-
6
-
-
0035353543
-
Big Is Beautiful-"Aromaticity" Revisited from the Viewpoint of Macromolecular and Supramolecular Benzene Chemistry
-
M. D. Watson, A. Fechtenkötter, and. K. Müllen, Big Is Beautiful-"Aromaticity" Revisited from the Viewpoint of Macromolecular and Supramolecular Benzene Chemistry, Chemical Reviews 101 (2001): 1267-1300.
-
(2001)
Chemical Reviews
, vol.101
, pp. 1267-1300
-
-
Watson, M.D.1
Fechtenkötter, A.2
Müllen, K.3
-
9
-
-
84951493761
-
Structure-Enthalpy Relationships in Polycyclic Cata-Condensed Aromatic Hydrocarbons
-
W. C. Herndon, D. A. Connor, and P. Lin, Structure-Enthalpy Relationships in Polycyclic Cata-Condensed Aromatic Hydrocarbons, Pure and Applied Chemistry 62 (1990):435-444.
-
(1990)
Pure and Applied Chemistry
, vol.62
, pp. 435-444
-
-
Herndon, W.C.1
Connor, D.A.2
Lin, P.3
-
10
-
-
0001338063
-
Empirical Model. Calculations for Thermodynamic and Structural. Properties of Condensed Polycyclic Aromatic Hydrocarbons
-
W. C. Herndon, P. C. Nowak, D. A. Connor, and P. Lin, Empirical Model. Calculations for Thermodynamic and Structural. Properties of Condensed Polycyclic Aromatic Hydrocarbons, Journal of the American Chemical Society 114 (1992):41-47.
-
(1992)
Journal of the American Chemical Society
, vol.114
, pp. 41-47
-
-
Herndon, W.C.1
Nowak, P.C.2
Connor, D.A.3
Lin, P.4
-
11
-
-
0007801847
-
-
ed. R. P. Thummel Greenwich, CT: JAI Press
-
W. C. Herndon and P. C Nowak, Advances in Theoretically Interesting Molecules, ed. R. P. Thummel (Greenwich, CT: JAI Press, 1992), Vol. 2, 113-144.
-
(1992)
Advances in Theoretically Interesting Molecules
, vol.2
, pp. 113-144
-
-
Herndon, W.C.1
Nowak, P.C.2
-
12
-
-
0035132798
-
Conformational Space and Dynamic Stereochemistry of Overcrowded Homomerous Bistricyclic Aromatic Enes-A Theoretical Study
-
P. U. Biedermann, J. J. Stezowski, and I. Agranat, Conformational Space and Dynamic Stereochemistry of Overcrowded Homomerous Bistricyclic Aromatic Enes-A Theoretical Study, European Journal of Organic Chemistry (2001): 1534.
-
(2001)
European Journal of Organic Chemistry
, pp. 1534
-
-
Biedermann, P.U.1
Stezowski, J.J.2
Agranat, I.3
-
14
-
-
4243160739
-
Partitioning of π-Electrons in Rings of Polycyclic Conjugated Hydrocarbons
-
A. T. Balaban and M. Randi, Partitioning of π-Electrons in Rings of Polycyclic Conjugated Hydrocarbons, New Journal of Chemistry 28 (2004): 800-806.
-
(2004)
New Journal of Chemistry
, vol.28
, pp. 800-806
-
-
Balaban, A.T.1
Randi, M.2
-
15
-
-
28444496044
-
Interconversions of Aryl Radicals by 1,4-Shifts of Hydrogen Atoms. A Synthesis of Benzo[a]corannulene
-
L. Peng and L. T. Scott, Interconversions of Aryl Radicals by 1,4-Shifts of Hydrogen Atoms. A Synthesis of Benzo[a]corannulene, Journal of the American Chemical Society 127 (2005): 16518-16521.
-
(2005)
Journal of the American Chemical Society
, vol.127
, pp. 16518-16521
-
-
Peng, L.1
Scott, L.T.2
-
16
-
-
0037059482
-
Overcrowding Motifs in Large PAHs. An ab Initio Study
-
S. Pogodin and I. Agranat, Overcrowding Motifs in Large PAHs. An ab Initio Study, Journal of Organic Chemistry 67 (2002):265-270.
-
(2002)
Journal of Organic Chemistry
, vol.67
, pp. 265-270
-
-
Pogodin, S.1
Agranat, I.2
-
18
-
-
0001917141
-
-
ed. S. K. Yang and B. D. Silverman Boca Raton, FL: CRC Press
-
P.G. Wislocki and A. Y. H. Lu, Polycyclic Aromatic Hydrocarbon Carcinogenesis: Structure-Activity Relationships, Vol. 1, ed. S. K. Yang and B. D. Silverman (Boca Raton, FL: CRC Press, 1988), 1-30.
-
(1988)
Polycyclic Aromatic Hydrocarbon Carcinogenesis: Structure-Activity Relationships
, vol.1
, pp. 1-30
-
-
Wislocki, P.G.1
Lu, A.Y.H.2
-
19
-
-
0031687879
-
Dibenzo[a,l]pyrene (Dibenzo[def,p]chrysene): Fjord-Region Distortions
-
A. K. Katz, H. L. Carrell, and J. P. Glusker, Dibenzo[a,l]pyrene (Dibenzo[def,p]chrysene): Fjord-Region Distortions, Carcinogenesis 19 (1998): 1641-1648.
-
(1998)
Carcinogenesis
, vol.19
, pp. 1641-1648
-
-
Katz, A.K.1
Carrell, H.L.2
Glusker, J.P.3
-
20
-
-
0030915597
-
Stereoselective Activation of Dibenzo[a,l]pyrene and Its trans- 11,12-Dihydrodiol to Fjord Region 11,12-Diol 13,14-Epoxides in a Human Mammary Carcinoma MCF-7 Cell-Mediated V79 Cell Mutation Assay
-
S. L. Ralston, S. L. Coffing, A. Seidel, A. Luch, K.-L. Platt, and W. M. Baird, Stereoselective Activation of Dibenzo[a,l]pyrene and Its trans- 11,12-Dihydrodiol to Fjord Region 11,12-Diol 13,14-Epoxides in a Human Mammary Carcinoma MCF-7 Cell-Mediated V79 Cell Mutation Assay, Chemical Research in Toxicology 10 (1997):687-693.
-
(1997)
Chemical Research in Toxicology
, vol.10
, pp. 687-693
-
-
Ralston, S.L.1
Coffing, S.L.2
Seidel, A.3
Luch, A.4
Platt, K.-L.5
Baird, W.M.6
-
21
-
-
0001142049
-
The Significance of Polycyclic Aromatic Hydrocarbons as Environmental Carcinogens
-
J. Jacob, The Significance of Polycyclic Aromatic Hydrocarbons as Environmental Carcinogens, Pure and Applied Chemistry 68 (1996):301-308.
-
(1996)
Pure and Applied Chemistry
, vol.68
, pp. 301-308
-
-
Jacob, J.1
-
22
-
-
0024505060
-
Tumor-Initiating Activity in Mouse Skin and Carcinogenicity in Rat, Mammary Gland of D.ibenzo[ö]pyrenes: The Very Potent Environmental Carcinogen Dibenzo[a,l]pyrene
-
E. L. Cavalieri, E. G. Rogan, S. Higginbotham, P. Cremonesi, and S. Salmasi, Tumor-Initiating Activity in Mouse Skin and Carcinogenicity in Rat, Mammary Gland of D.ibenzo[ö]pyrenes: The Very Potent Environmental Carcinogen Dibenzo[a,l]pyrene, Journal of Cancer Research and Clinical Oncology 115 (1989): 67-72.
-
(1989)
Journal of Cancer Research and Clinical Oncology
, vol.115
, pp. 67-72
-
-
Cavalieri, E.L.1
Rogan, E.G.2
Higginbotham, S.3
Cremonesi, P.4
Salmasi, S.5
-
23
-
-
0007856116
-
3,4-Benzopyrene (A New Refinement)
-
J. Iball, S.N. Scrimgeour, and D. W. Young, 3,4-Benzopyrene (A New Refinement), Acta Crystallographica, Section B 32 (1976):328-330.
-
(1976)
Acta Crystallographica, Section B
, vol.32
, pp. 328-330
-
-
Iball, J.1
Scrimgeour, S.N.2
Young, D.W.3
-
26
-
-
85197340041
-
-
E. Ciar, C. T. Ironside, and M. Zander, The Electronic Interaction between. Benzenoid Rings in Condensed Aromatic Hydrocarbons. 1:12-2 : 3-4 : 5-6 : 7-8 : 9-10 : 11-Hexabenzocoronene, 1 : 2-3 : 4-5 : 6-10 : 11- Tetrabenzoanthanthrene, and 4 : 5-6 : 7-11 : 12-13 : 14-Tetrabenzoperopyrene, Journal of the Chemical Society (1959):142-147.
-
E. Ciar, C. T. Ironside, and M. Zander, The Electronic Interaction between. Benzenoid Rings in Condensed Aromatic Hydrocarbons. 1:12-2 : 3-4 : 5-6 : 7-8 : 9-10 : 11-Hexabenzocoronene, 1 : 2-3 : 4-5 : 6-10 : 11- Tetrabenzoanthanthrene, and 4 : 5-6 : 7-11 : 12-13 : 14-Tetrabenzoperopyrene, Journal of the Chemical Society (1959):142-147.
-
-
-
-
28
-
-
3042566856
-
Synthesis of Hexabenzo[a,cd,f,j,Im,o]perylene
-
Y. Fujimaki, M. Takekawa, S. Fujisawa, S. Ohshima, and Y. Sakamoto, Synthesis of Hexabenzo[a,cd,f,j,Im,o]perylene, Polycyclic Aromatic Compounds 24 (2004): 107-122.
-
(2004)
Polycyclic Aromatic Compounds
, vol.24
, pp. 107-122
-
-
Fujimaki, Y.1
Takekawa, M.2
Fujisawa, S.3
Ohshima, S.4
Sakamoto, Y.5
-
29
-
-
3042655666
-
-
ed, L. B. Ebert Washington, D. C: American Chemical Society, Chap. 18
-
J. C. Fetzer, Polynuclear Aromatic Compounds, ed, L. B. Ebert (Washington, D. C: American Chemical Society, 1988), Chap. 18, 309-332.
-
(1988)
Polynuclear Aromatic Compounds
, pp. 309-332
-
-
Fetzer, J.C.1
-
30
-
-
0035353487
-
Conceptual and Computational DFT in the Study of Aromaticity
-
F. De Proft and P. Geerlings, Conceptual and Computational DFT in the Study of Aromaticity, Chemical Reviews 101 (2001):1451-1464.
-
(2001)
Chemical Reviews
, vol.101
, pp. 1451-1464
-
-
De Proft, F.1
Geerlings, P.2
-
31
-
-
3242729660
-
A Theoretical Study of The Conformations of Tetrabenzo[a,cd,f.lm]perylene, An Overcrowded LPAH
-
S. Pogodin, I. Agranat, and J. C. Fetzer, A Theoretical Study of The Conformations of Tetrabenzo[a,cd,f.lm]perylene, An Overcrowded LPAH, Polycyclic Aromatic Compounds 24 (2004): 151-160.
-
(2004)
Polycyclic Aromatic Compounds
, vol.24
, pp. 151-160
-
-
Pogodin, S.1
Agranat, I.2
Fetzer, J.C.3
-
32
-
-
85197352146
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, et al., Gaussian, 98, Revision A.7, Gaussian, Inc., Pittsburgh, Penn. (1998).
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, et al., Gaussian, 98, Revision A.7, Gaussian, Inc., Pittsburgh, Penn. (1998).
-
-
-
-
33
-
-
0000189651
-
Density-Functional Thermochemistry. III. The Role of Exact Exchange
-
A. D. Becke, Density-Functional Thermochemistry. III. The Role of Exact Exchange, The Journal of Chemical Physics 98 (1993):5648-5652.
-
(1993)
The Journal of Chemical Physics
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
34
-
-
0345491105
-
Development of The Colle-Salvetti CorrelationEnergy Formula Into a Functional of The Electron Density
-
C. Lee, W. Yang, and R. G. Parr, Development of The Colle-Salvetti CorrelationEnergy Formula Into a Functional of The Electron Density, Physical Review B 37 (1988):785-789.
-
(1988)
Physical Review B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
35
-
-
0038596731
-
Results Obtained with the Correlation Energy Density Functionals of Becke and Lee, Yang and Parr
-
B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Results Obtained with the Correlation Energy Density Functionals of Becke and Lee, Yang and Parr, Chemical Physics Letters 157 (1989):200-206.
-
(1989)
Chemical Physics Letters
, vol.157
, pp. 200-206
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
36
-
-
0000216001
-
Accurate Spin-Dependent Electron Liquid Correlation Energies for Local, Spin Density Calculations: A Critical, Analysis
-
S. H. Vosko, L. Wilk, and M. Nusair, Accurate Spin-Dependent Electron Liquid Correlation Energies for Local, Spin Density Calculations: a Critical, Analysis, Canadian Journal of Physics 58 (1980): 1200-1211.
-
(1980)
Canadian Journal of Physics
, vol.58
, pp. 1200-1211
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
38
-
-
0000245524
-
Structure of Graphite by Neutron Diffraction
-
P. Trucano and R. Chen, Structure of Graphite by Neutron Diffraction, Nature 258 (1975): 136-137.
-
(1975)
Nature
, vol.258
, pp. 136-137
-
-
Trucano, P.1
Chen, R.2
-
39
-
-
0031541954
-
Comparative Analysis of Systems of van der Waals Radii,
-
111-116
-
Y.V. Zefirov, Comparative Analysis of Systems of van der Waals Radii, Crystallography Reports 42 (1997):111-116.
-
(1997)
Crystallography Reports
, vol.42
-
-
Zefirov, Y.V.1
-
40
-
-
0011190497
-
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticky Probe
-
P. V. R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, and N. J. R. V.E. Hommes, Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticky Probe, Journal of the American Chemical Society 118 (1996): 6317-6318.
-
(1996)
Journal of the American Chemical Society
, vol.118
, pp. 6317-6318
-
-
Schleyer, P.V.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
Hommes, N.J.R.V.E.5
-
42
-
-
0035353538
-
Aromaticity and Ring Currents
-
J. A. N. F. Gomes and R. B. Mallion, Aromaticity and Ring Currents, Chemical Reviews 101 (2001): 1349-1383.
-
(2001)
Chemical Reviews
, vol.101
, pp. 1349-1383
-
-
Gomes, J.A.N.F.1
Mallion, R.B.2
-
43
-
-
0141789719
-
Aromaticity of Polycyclic Conjugated Hydrocarbons
-
M. Randi, Aromaticity of Polycyclic Conjugated Hydrocarbons, Chemical Reviews 103 (2003):3449-3605.
-
(2003)
Chemical Reviews
, vol.103
, pp. 3449-3605
-
-
Randi, M.1
-
44
-
-
0000377768
-
Clar's Aromatic Sextet and. Sextet Polynomial
-
H. Hosoya, Clar's Aromatic Sextet and. Sextet Polynomial, Topics in Current Chemistry 153 (1990):255-272.
-
(1990)
Topics in Current Chemistry
, vol.153
, pp. 255-272
-
-
Hosoya, H.1
|