Vibrational Spectra and Structure
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Vibrational Spectra and Structure: v. 20(Vibrational Spectra and Structure)

Vibrational Spectra and Structure: v. 20(Vibrational Spectra and Structure)

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About the Book

The current volume comprises five chapters, three of which address recent advances in experimental techniques for providing information on biomolecular reaction paths, for determining linewidth and small frequency shifts, and for applying the microwave Fourier transform technique to experiments of static gases in waveguide cells. Chapters 4 and 5 consider ab initio calculations for both inorganic and organic systems.

Table of Contents:
1. Applications of Matrix Infrared Spectroscopy to Mapping of Bimolecular Reaction Paths (H. Frei). Introduction. Oxygen Transfer Reactions. Hydrogen Transfer Reactions. Concluding Remarks. 2. Vibrational Line Profile and Frequency Shift Studies by Raman Spectroscopy (B.P. Asthana, W. Kiefer). Introduction. Deconvolution of Raman Line Profile. Determination of Frequency Shifts by Raman Difference Spectroscopy (RDS). Study of Linewidth Changes by RDS. Experimental Techniques. Applications. Summary. 3. Microwave Fourier Transform Spectroscopy (A. Bauder). Introduction. Experimental. Rotational Spectra. 4. Ab Initio Quality of SCMEH-MO Calculations of Complex Inorganic Systems (E.A. Boudreaux). Introduction. Theoretical Foundation. Applications and Results. Comments, Conclusions and Acknowledgments. 5. Calculated and Experimental Vibrational Spectra and Force Fields of Isolated Pyrimidine Bases (W.B. Person, K. Szczepaniak). Introduction. Methods for Study of Isolated Molecules. Stabilities, Structures, and Dipole Moments of Isolated Pyrimidine Bases. Comparison of Experimental and Calculated Infrared Spectra for Pyrimidine Bases. Basis Set Dependence of Calculated Infrared Spectra and Vibrational Parameters for Uracil. Comparison of Spectra Calculated for Uracil, Thymine, Cytosine, and 1-Methylcytosine. Comparison and Transferability of Bond Force Constants from Thymine, Uracil, Cytosine, and 1-Methylcytosine. Comparison and Transferability of Bond Dipole Derivatives from Uracil, Thymine, Cytosine, and 1-Methylcytosine. Concluding Remarks. Author Index. Subject Index.


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Product Details
  • ISBN-13: 9780444898654
  • Publisher: Elsevier Science & Technology
  • Publisher Imprint: Elsevier Science Ltd
  • Height: 230 mm
  • Series Title: Vibrational Spectra and Structure
  • ISBN-10: 0444898654
  • Publisher Date: /01/1993
  • Binding: Hardback
  • Language: English
  • Sub Title: v. 20


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