Pure and Applied Chemistry

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• Dickens Timothy K., Gomes José A. N. F., Mallion Roger B.: Some Comments on Topological Approaches to the π-Electron Currents in Conjugated Systems. J Chem Theory and Comput 2011, 7, 3661. <http://dx.doi.org/10.1021/ct2002539>
• Dickens Timothy K., Mallion Roger B.: Topological Ring-Currents and Bond-Currents in Some Nonalternant Isomers of Coronene. J. Phys. Chem. A 2011, 115, 13877. <http://dx.doi.org/10.1021/jp205964t>
• Knop J. V., Trinajstić N.: Chemical graph theory. II. On the graph theoretical polynomials of conjugated structures. Int J Quantum Chem 2009, 18, 503. <http://dx.doi.org/10.1002/qua.560180853>
• Balaban Alexandru T., Randić Milan: Partitioning of π -electrons in rings of polycyclic conjugated hydrocarbons: Part 6. Comparison with other methods for estimating the local aromaticity of rings in polycyclic benzenoids. J Math Chem 2005, 37, 443. <http://dx.doi.org/10.1007/s10910-004-1114-z>
• Gutman Ivan, Randić Milan, Balaban Alexandru T., Furtula Boris, Vuĉković Veselin: π-ELECTRON CONTENTS OF RINGS IN THE DOUBLE-HEXAGONAL-CHAIN HOMOLOGOUS SERIES (PYRENE, ANTHANTHRENE AND OTHER ACENOACENES). Polycyclic Arom Comp 2005, 25, 215. <http://dx.doi.org/10.1080/10406630591007080>
• Randić Milan, Guo Xiaofeng: Giant Benzenoid Hydrocarbons. Superphenalene Resonance Energy. Polycyclic Arom Comp 2000, 18, 49. <http://dx.doi.org/10.1080/10406630008233861>
• Randić Milan, Guo Xiaofeng: Resonance energy of giant benzenoid hydrocarbon C78H26. Int J Quantum Chem 1999, 74, 697. <http://dx.doi.org/10.1002/(SICI)1097-461X(1999)74:6<697::AID-QUA10>3.0.CO;2-Q>
• Randić Milan: Resonance in catacondensed benzenoid hydrocarbons. Int J Quantum Chem 1997, 63, 585. <http://dx.doi.org/10.1002/(SICI)1097-461X(1997)63:2<585::AID-QUA28>3.0.CO;2-5>
• Živković T., Randić M., Klein D. J., Zhu H.-Y., Trinajstić N.: Analytical approach to very large benzenoid polymers. J Comput Chem 1995, 16, 517. <http://dx.doi.org/10.1002/jcc.540160415>
• Randić Milan, Hosoya Haruo, Nakada Kyoko: On Construction of Clar Structures for Large Benzenoids. Polycyclic Arom Comp 1995, 4, 249. <http://dx.doi.org/10.1080/10406639508009623>
• Gutman I., Brunvoll J., Cyvin B.N., Brendsdal E., Cyvin S.J.: Essentially disconnected fully-acenoids, and fully-arenoid hydrocarbons. chem phys letts 1994, 219, 355. <http://dx.doi.org/10.1016/0009-2614(94)00105-7>
• Randi�� Milan, El-Basil Sherif: Graph theoretical analysis of large benzenoid hydrocarbons. Journal of Molecular Structure: THEOCHEM 1994, 304, 233. <http://dx.doi.org/10.1016/0166-1280(94)80020-0>
• Cyvin Sven J., Cyvin Björg N., Brunvoll Jon, Gutman Ivan: Kekulé structure counts for some classes of all-benzenoid and all-coronoid hydrocarbons. Monatshefte für Chemie 1991, 122, 771. <http://dx.doi.org/10.1007/BF00815917>
• Gutman Ivan, Agranat Israel: Cyclic Conjugation in Peropyrenes. Polycyclic Arom Comp 1991, 2, 63. <http://dx.doi.org/10.1080/10406639108047858>
• Randić Milan, Hosoya Haruo, Polansky Oskar E.: On the construction of the matching polynomial for unbranched catacondensed benzenoids. J Comput Chem 1989, 10, 683. <http://dx.doi.org/10.1002/jcc.540100510>
• Jiang Y., Zhang H.: Stability and reactivities based on moment analysis. Theor Chim Acta 1989, 75, 279. <http://dx.doi.org/10.1007/BF00533194>
• O'Leary Brian, Mallion R. B.: C.A. Coulson's work on a contour-integral approach to the London theory of magnetic susceptibility of conjugated molecules. J Math Chem 1989, 3, 323. <http://dx.doi.org/10.1007/BF01169015>
• Largo-Cabrerizo A., Barrientos C., Makyoun M.A., Sawan Y., Randi�� Milan, Plav��i�� Dejan, Trinajsti�� Nenad: An ab initio study of the RBS+ cations (R���H, F, Cl). Journal of Molecular Structure: THEOCHEM 1989, 183, 183. <http://dx.doi.org/10.1016/0166-1280(89)80025-9>
• Randić Milan, Henderson Larhee L., Stout Roland, Trinajstić Nenad: Conjugation and aromaticity of macrocyclic systems. Int J Quantum Chem 1988, 34, 127. <http://dx.doi.org/10.1002/qua.560340817>
• Randić Milan, Trinajstić Nenad: Composition as a method for data reduction: application to carbon-13 NMR chemical shifts. Theor Chim Acta 1988, 73, 233. <http://dx.doi.org/10.1007/BF00528208>
• Randić Milan, Solomon Vasanth, Grossman Stuart C., Klein Douglas J., Trinajsti Nenad: Resonance energies of large conjugated hydrocarbons by a statistical method. Int J Quantum Chem 1987, 32, 35. <http://dx.doi.org/10.1002/qua.560320106>
• Diercks Rainer, Vollhardt K. Peter C.: Cobalt-katalysierte Cyclisierung von Bis(2-ethinylphenyl)ethin-neue Synthese von gewinkeltem [3]Phenylen (Terphenylen), einem Molekül mit einer Cyclohexatrien-Einheit. Angew Chem 1986, 98, 268. <http://dx.doi.org/10.1002/ange.19860980318>
• Diercks Rainer, Vollhardt K. Peter C.: Novel Synthesis of the Angular [3]Phenylene (Terphenylene) by Cobalt-Catalyzed Cyclization of Bis(2-ethynylphenyl)ethyne: a Molecule with an Internal Cyclohexatriene Ring. Angew Chem Int Ed Engl 1986, 25, 266. <http://dx.doi.org/10.1002/anie.198602661>
• Nettleton Faith E., Randić Milan: On the stability of conjugated hydrocarbon ions. Int J Quantum Chem 1986, 30, 203. <http://dx.doi.org/10.1002/qua.560300720>
• Balaban Alexandru T., Filip Petru, Balaban Teodor-Silviu: Computer program for finding all possible cycles in graphs. J Comput Chem 1985, 6, 316. <http://dx.doi.org/10.1002/jcc.540060409>
• Balaban Alexandru T.: Graph theory and theoretical chemistry. Journal of Molecular Structure: THEOCHEM 1985, 120, 117. <http://dx.doi.org/10.1016/0166-1280(85)85100-9>
• Mizoguchi Noriyuki: The circuit rule for the magnetic susceptibility of a polycyclic conjugated system. Chemical Physics Letters 1984, 106, 451. <http://dx.doi.org/10.1016/0009-2614(84)85338-5>
• Randi�� Milan: Average carbon-13 chemical shifts in benzenoid dications. Journal of Magnetic Resonance (1969) 1984, 59, 34. <http://dx.doi.org/10.1016/0022-2364(84)90279-8>
• Seibert J., Trinajstića N.: Chemical graph theory. IV. On the cyclic polynomial. Int J Quantum Chem 1983, 23, 1829. <http://dx.doi.org/10.1002/qua.560230512>
• Bonchev D., Mekenyan O.: Comparability graphs and electronic spectra of condensed benzenoid hydrocarbons. chem phys letts 1983, 98, 134. <http://dx.doi.org/10.1016/0009-2614(83)87113-9>
• Randic M.: Graph theoretical characterization of the dendritic fields. Int J Quantum Chem 1981, 20, 463. <http://dx.doi.org/10.1002/qua.560200741>
• Gomes José A. N. F.: Theory for a general system of increments for the properties of polycyclic hydrocarbons. Theor Chim Acta 1981, 59, 333. <http://dx.doi.org/10.1007/BF02402398>
• Borzo M, Maciel G.E, Pattison M.R, Kim Yeong W, Randi�� Milan, Gerstein Bernard C: Nuclear overhauser effects in exchanging systems. Journal of Magnetic Resonance (1969) 1981, 43, 175. <http://dx.doi.org/10.1016/0022-2364(81)90031-7>
• Minsky Abraham, Rabinovitz Mordecai: Diindeno[cd:1m]perylene dianion. Local vs. peripheral contributions to the aromatic character. Tetrahetron Lett 1981, 22, 5341. <http://dx.doi.org/10.1016/S0040-4039(01)92497-9>
• Gomes José A. N. F.: Theory for a general system of increments for the properties of polycyclic hydrocarbons. Theor Chim Acta 1980, 59, 333. <http://dx.doi.org/10.1007/BF00553392>