Skip to main content

Quantum Chemical Normal Mode Analysis for Interpretation of Vibrational Spectra of Biomolecules: State of the Art

  • Chapter

Abstract

During the past two decades methods of vibrational spectroscopy have become valuable tools for the study of structural properties and dynamical processes of proteins and particularly of chromoproteins (for a review see e.g. [1]). Such spectra generally exhibit a rich and complex structure and, in the range above 800 cm-1, contain a wealth of information about local bonding structures in a coded fashion. Currently only a small part of that information can actually be extracted from the spectra since its decoding still poses a mayor theoretical problem.

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

Buying options

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   169.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   219.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD   219.99
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

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. F. Siebert. Methods in Enzymology, 246:501–526, 1995.

    Article  PubMed  CAS  Google Scholar 

  2. J.A. Pople et al. Gaussian 92, Revision F.2. Gaussian, Inc., 1993, Pittsburgh PA,.

    Google Scholar 

  3. Biosym Technologies, 1993, San Diego. DMol Users Guide, version 2.3.

    Google Scholar 

  4. S. Krimm and J. Bandekar. Adv. Protein Chemistry, 38:181, 1986.

    Article  CAS  Google Scholar 

  5. H. Torri and M. Tasumi. J. Chem. Phys., 97:92, 1992.

    Article  Google Scholar 

  6. K. Fahmy, F. Siebert, and P. Tavan. Biophys. J., 60:989–1001, 1991.

    Article  PubMed  CAS  Google Scholar 

  7. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart. J. Am. Chem. Soc., 107:3902–3909, 1985.

    Article  CAS  Google Scholar 

  8. M. Nonella and P. Tavan. An unsealed quantum mechanical force field for p-benzoquinone. Chem. Phys., 1995. submitted.

    Google Scholar 

  9. R. Liu, X. Zhou, and P. Pulay. J. Chem. Phys., 96:4255–4261, 1992.

    Article  CAS  Google Scholar 

  10. M. F. Großjean, P. Tavan, and K. Schulten. J. Phys. Chem., 94:8059–8069, 1990.

    Article  Google Scholar 

  11. K. Smit, J. Matysik, P. Hildebrandt, and F. Mark. J. Phys. Chem. (im Druck), 1993.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 1995 Springer Science+Business Media Dordrecht

About this chapter

Cite this chapter

Tavan, P. (1995). Quantum Chemical Normal Mode Analysis for Interpretation of Vibrational Spectra of Biomolecules: State of the Art. In: Merlin, J.C., Turrell, S., Huvenne, J.P. (eds) Spectroscopy of Biological Molecules. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-0371-8_1

Download citation

  • DOI: https://doi.org/10.1007/978-94-011-0371-8_1

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-4166-9

  • Online ISBN: 978-94-011-0371-8

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics