The Physics and Physical Chemistry of Water

1. Front Matter

   Pages i-xix

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2. Introduction—Water, The Unique Chemical

   • F. Franks

   Pages 1-20

3. The Water Molecule

   • C. W. Kern, M. Karplus

   Pages 21-91

4. Theory of Hydrogen Bonding in Water

   • C. N. R. Rao

   Pages 93-114

5. The Properties of Ice

   • F. Franks

   Pages 115-149

6. Raman and Infrared Spectral Investigations of Water Structure

   • G. E. Walrafen

   Pages 151-214

7. Nuclear Magnetic Resonance Studies on Water and Ice

   • Jay A. Glasel

   Pages 215-254

8. Liquid Water: Dielectric Properties

   • J. B. Hasted

   Pages 255-309

9. Liquid Water: Scattering of X-Rays

   • A. H. Narten, H. A. Levy

   Pages 311-332

10. The Scattering of Neutrons by Liquid Water

    • D. I. Page

    Pages 333-362

11. Thermodynamic and Transport Properties of Fluid Water

    • G. S. Kell

    Pages 363-412

12. Application of Statistical Mechanics in the Study of Liquid Water

    • A. Ben-Naim

    Pages 413-442

13. Liquid Water—Acoustic Properties: Absorption and Relaxation

    • Charles M. Davis Jr., Jacek Jarzynski

    Pages 443-461

14. Water at High Temperatures and Pressures

    • Klaus Tödheide

    Pages 463-514

15. Structural Models

    • Henry S. Frank

    Pages 515-543

16. Back Matter

    Pages 545-596

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to arrive at some temporary consensus model or models; and to present reliable physical data pertaining to water under a range of conditions, i.e., "Dorsey revisited," albeit on a less ambitious scale. I should like to acknowledge a debt of gratitude to several of my col­ leagues, to Prof. D. J. G. Ives and Prof. Robert L. Kay for valuable guidance and active encouragement, to the contributors to this volume for their willing cooperation, and to my wife and daughters for the understanding shown to a husband and father who hid in his study for many an evening. My very special thanks go to Mrs. Joyce Johnson, who did all the cor­ respondence and much of the arduous editorial work with her usual cheerful efficiency. F. FRANKS Biophysics Division Unilever Research Laboratory ColworthjWelwyn Colworth House, Sharnbrook, Bedford March 1972 Contents Chapter 1 Introduction-Water, the Unique Chemical F. Franks I. lntroduction ........................................ . 2. The Occurrence and Distribution of Water on the Earth 2 3. Water and Life ...................................... 4 4. The Scientific Study of Water-A Short History ........ 8 5. The Place of Water among Liquids . . . . . . . . . . . . . . . 13 . . . . . Chapter 2 The Water Moleeule C. W. Kern and M. Karplus 1. Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 . . . . . . . . . . 2. Principles of Structure and Spectra: The Born-Oppenheimer Separation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 . . . . . . . . . . . . 3. The Electronic Motion ............................... 26 3.1. The Ground Electronic State of Water ............ 31 3.2. The Excited Electronic States of Water ........... 50 4. The Nuclear Motion ................................. 52 5.External-Field Effects ................................. 70 5.1. Perturbed Hartree-Fock Method . . . . . . . . . . . . . . . 74 . . .

• Absorption
• Atom
• Configuration Interaction
• Diffusion
• NMR
• Sorption
• Substitution
• biophysics
• bonding
• earth
• electronics
• isotope
• physical chemistry
• physics
• structure

• Unilever Research Laboratory, Sharnbrook, Bedford, England

  Felix Franks

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