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Theoretical study of substituent effects on the geometry and strain enthalpy in [2,2]paracyclophanes Cover

Theoretical study of substituent effects on the geometry and strain enthalpy in [2,2]paracyclophanes

Open Access
|Jun 2016

References

  1. Andrews JT, Westrum EF (1970) J. Phys. Chem. 74: 2170—2174.
  2. Bachrach SM (2011) J. Phys. Chem. A 115: 2396—2401.
  3. Becke AD (1993) J. Chem. Phys. 98: 5648—5652.
  4. Boyd RH (1966) Tetrahedron 22: 119—122.<dgdoi:pub-id xmlns:dgdoi="http://degruyter.com/resources/doi-from-crossref" pub-id-type="doi"><a href="https://doi.org/10.1016/0040-4020(66)80108-4" target="_blank" rel="noopener noreferrer" class="text-signal-blue hover:underline">10.1016/0040-4020(66)80108-4</a></dgdoi:pub-id>
  5. Caramori GF, Galembeck SE, Laali KK (2005) J.Org. Chem. 70: 3242—3250.
  6. Cram DJ, Cram JM (1971) Acc. Chem. Res. 4: 204—213.
  7. Demissie TB, Dodziuk H, Waluk J, Ruud K, Pietrzak M, Vetokhina V, Szymański S, Jaźwiński Hope H (1972) J. Phys. Chem. A 120: 724—736.
  8. Dodziuk H, Szymański S, Jaźwiński J, Ostrowski M, Demissie TB, Ruud K, Lin ST (2011) J. Phys. Chem. A 115: 10638—10649.
  9. Dodziuk H, Demissie TB, Ruud K, Szymański S, Jaźwiński J, Hopf H (2012) Magn. Reson. Chem 50: 449—457.
  10. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr., Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Keith T, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas O, Foresman JB, Ortiz JV, Cioslowski J and Fox DJ (2009) Gaussian 09, Revision D.01, Gaussian, Inc., Wallingford CT.
  11. Grimme S (2004) Chem. Eur. J. 10: 3423—3429.
  12. Grimme S, Ehrlich S, Goerigk L (2011) J. Comput. Chem. 32: 1456—1465,<dgdoi:pub-id xmlns:dgdoi="http://degruyter.com/resources/doi-from-crossref" pub-id-type="doi"><a href="https://doi.org/10.1002/jcc.21759" target="_blank" rel="noopener noreferrer" class="text-signal-blue hover:underline">10.1002/jcc.21759</a></dgdoi:pub-id><dgpm:pub-id xmlns:dgpm="http://degruyter.com/resources/fetched-pubmed-id" pub-id-type="pmid">21370243</dgpm:pub-id>
  13. Hammett LP (1937). J. Am. Chem. Soc. 59: 96—103.
  14. Hinoue T, Shigenoi Y, Sugino M, Mizobe Y, Hisaki I, Miyata M, Tohnai N (2012) Chem. Eur. J. 18: 4634—4643.
  15. Hope H, Bernstein J, Trueblood KN (1972) Acta Crystallogr. Sect. B-Struct. Sci. 28: 1733—1743.
  16. Lee C, Yang W, Parr RG (1988) Phys. Rev. B 37: 785—789.
  17. Lyssenko KA, Antipin MY, Antonov DY (2003) ChemPhysChem 4: 817—823.<dgdoi:pub-id xmlns:dgdoi="http://degruyter.com/resources/doi-from-crossref" pub-id-type="doi"><a href="https://doi.org/10.1002/cphc.200200597" target="_blank" rel="noopener noreferrer" class="text-signal-blue hover:underline">10.1002/cphc.200200597</a></dgdoi:pub-id><dgpm:pub-id xmlns:dgpm="http://degruyter.com/resources/fetched-pubmed-id" pub-id-type="pmid">12961978</dgpm:pub-id>
  18. Morisaki Y, Fernandes JA, Chujo Y (2010) Polym. J. 42: 928—934.
  19. Pople JA, Binkley JS, Hehre WJ (1980) J. Am. Chem. Soc. 102: 939—947.
  20. Salcedo R, Mireles N, Sansores LE (2003) J. Theor. Comput. Chem. 2: 171—177.
  21. Sheehan M, Cram DJ (1969) J. Am. Chem. Soc. 91: 3553—3558.
  22. Wolf H, Leusser D, Herbst-Irmer R, Chen YS, Scheidt EW, Scherer W, Stalke D (2014) Chem. Eur. J. 20: 7048—7053.
DOI: https://doi.org/10.1515/acs-2016-0002 | Journal eISSN: 1339-3065 | Journal ISSN: 1337-978X
Language: English
Page range: 6 - 13
Published on: Jun 8, 2016
Published by: Slovak University of Technology
In partnership with: Paradigm Publishing Services
Publication frequency: 2 times per year
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© 2016 Martin Michalík, Peter Poliak, Vladimír Lukeš, published by Slovak University of Technology
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.