Skip to main content

A Synthesis of Fluid Dynamics and Quantum Chemistry in a Momentum-Space Investigation of Molecular Wires and Diodes

  • Chapter
Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References and Notes

  1. R. P. Feynman, Eng. and Sci. 23, 22 (1960).

    Google Scholar 

  2. M. A. Ratner and J. Jortner, in Molecular Electronics, ed. J. Jortner and M. A. Ratner (Blackwell Science Ltd., London, 1997), pp. 5–72. See also references cited therein.

    Google Scholar 

  3. A. J. Bard, Integrated Chemical Systems: A Chemical Approach to Nanotechnology (John Wiley and Sons, 1994).

    Google Scholar 

  4. J. M. Tour, R. Wu and J. S. Schumm, J. Am. Chem. Soc. 113, 7064 (1991).

    CAS  Google Scholar 

  5. R. F. W. Bader, P. J. MacDougall and C. D. H. Lau, J. Am. Chem. Soc. 106, 1594 (1984).

    Article  CAS  Google Scholar 

  6. R. F. W. Bader, Chem. Rev. 91, 893 (1991), and references therein.

    Article  CAS  Google Scholar 

  7. R. Destro, R. Bianchi, C. Gatti and F. Merati, Chem. Phys. Lett. 186, 47 (1991). G. T. Smith, P. R. Mallinson, C. S. Frampton, L. J. Farrugia, R. D. Peacock and J. A. K. Howard, J. Am. Chem. Soc. 119, 5028 (1997). R. Flaig, T. Koritsanszky, D. Zobel and P. Luger, J. Am. Chem. Soc. 120, 2227 (1998). G. K. H. Madsen, B. B. Iversen, F. K. Larsen, M. Kapon, G. M. Reisner, F. H. Herbstein, J. Am. Chem. Soc. 120, 10040 (1998). Y. A. Abramov, L. Brammer, W. T. Klooster and R. M. Bullock, Inorg. Chem. 37, 6317 (1998).

    Article  CAS  Google Scholar 

  8. R. Benesch and V. H. Smith, Jr., in Wave Mechanics — The First Fifty Years, ed. W. C. Price, S. S. Chissick and T. Ravensdale (Butterworth and Co., London, 1973).

    Google Scholar 

  9. R. McWeeny, Rev. Mod. Phys. 32, 335 (1960).

    Article  Google Scholar 

  10. P. J. MacDougall, Can. J. Phys. 69, 1423 (1991).

    Google Scholar 

  11. J. Wang, B. J. Clark, H. Schmider and V. H. Smith, Jr., Can. J. Chem. 74, 1187, (1996).

    CAS  Google Scholar 

  12. H. Schmider, J. Chem. Phys. 105, 3627 (1996). H. Schmider and M. Hô, J. Phys. Chem. 100, 17807 (1996).

    CAS  Google Scholar 

  13. M. Vos, S. A. Canney, I. E. McCarthy, S. Utteridge, M. T. Michalewicz and E. Weigold, Phys. Rev. B 56, 1309 (1997). J. Nakamura, T. Takeda, K. Asai, N. Yamada, Y. Tanaka, N. Sakai, M. Ito, A. Koizumi and H. Kawata J. Phys. Soc. Japan 64, 1385 (1995). S. Ishibashi, A.A. Manuel, L. Hoffmann and K. Bechgaard, Phys. Rev. B 55, 2048 (1997).

    CAS  Google Scholar 

  14. G. N. Lewis, J. Am. Chem. Soc. 38, 762 (1916).

    CAS  Google Scholar 

  15. L. N. Cooper, Phys. Rev. 104, 1189 (1956).

    Article  CAS  Google Scholar 

  16. M. E. Eberhart, Scientific American, 281, 66 (1999). M. E. Eberhart and A. F. Giamei Materials Sci. Eng. A248, 287 (1998).

    Article  CAS  Google Scholar 

  17. Gaussian 94 (Revision D.3), M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. AI-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, C. Y. Peng, P. Y. Ayala, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzales, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA (1995).

    Google Scholar 

  18. P. J. MacDougall, “On the gradient path towards design tools for nanotechnology that are based on the electron density” New Technology Seminar, NASA Ames Research Center (June 9, 1997), available on video from http://www.nas.nasa,gov/Services/DocCenterNideos/.

  19. C. Gatti, P. J. MacDougall and R. F. W. Bader, J. Chem. Phys. 88, 3792 (1988).

    Article  CAS  Google Scholar 

  20. P. Kaisjer and V. H. Smith, Jr., in Quantum Science, Methods and Structure, ed. J.-L. Calais (Plenum Press, New York, 1976).

    Google Scholar 

  21. K. Husimi, Proc. Phys. Math. Soc. Jpn 22, 264 (1940). J. E. Harriman, J. Chem. Phys. 88, 6399 (1988). R. C. Morrison and R. G. Parr, Int. J. Quantum Chem. 39, 823 (1991).

    Google Scholar 

  22. FAST was created by V. Watson, F. Merritt, T. Plessel, R. K. McCabe, K. Castegnera, T. Sandstrom, J. West, R. Baronia, D. Schmitz, P. Kelaita, J. Semans and G. Bancroft, the NASA Ames Research Center, NAS Division. Information about FAST is at http://www.nas.nasa.gov/FAST/fast.html.

  23. R. P. Sagar, A. C. T. Ku, V. H. Smith, Jr. and A. M. Simas, J. Chem. Phys. 90, 6520 (1989).

    Article  CAS  Google Scholar 

  24. M. A. Reed, Proc. IEEE 87, 652 (1999).

    Article  CAS  Google Scholar 

  25. D. Goldhaber-Gordon, M. S. Montemerlo, J. C. Love, G. J. Opiteck, and J. C. Ellenbogen, “Overview of Nanoelectronic Devices”, Proc. IEEE 85, 521 (1997).

    Article  CAS  Google Scholar 

  26. R. C. Jaeger, Microelectronic Circuit Design (McGraw-Hill, New York, 1997).

    Google Scholar 

  27. J. C. Ellenbogen and J. C. Love, “Architectures for molecular electronic computers: 1. Logic structures and an adder built from molecular electronic diodes”, MITRE Technical Report No. 98W0000183, The MITRE Corporation, McLean, VA, July 1999.

    Google Scholar 

  28. J. M. Seminario, A. G. Zacarias and J. M. Tour, J. Am. Chem. Soc. 120, 3970 (1998).

    Article  CAS  Google Scholar 

  29. H. Essén, Phys. Rev. E 53, 5228 (1996). H. Essén, J. Phys. A: Math. Gen. 32, 2297 (1999).

    Google Scholar 

  30. C. Zhou, M. R. Deshpande, M. A. Reed and J. M. Tour, Appl. Phys. Lett. 71, 611 (1997).

    CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2002 Kluwer Academic Publishers

About this chapter

Cite this chapter

MacDougall, P.J., Levit, M.C. (2002). A Synthesis of Fluid Dynamics and Quantum Chemistry in a Momentum-Space Investigation of Molecular Wires and Diodes. In: Dadmun, M.D., Van Hook, W.A., Noid, D.W., Melnichenko, Y.B., Sumpter, B.G. (eds) Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems. Springer, Boston, MA. https://doi.org/10.1007/0-306-47110-8_13

Download citation

  • DOI: https://doi.org/10.1007/0-306-47110-8_13

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-0-306-46549-9

  • Online ISBN: 978-0-306-47110-0

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics