Molecular structure polyatomic

Herzberg G 1966 Molecular Spectra and Molecular Structure III Electronic Spectra and Electronic Structure of Polyatomic Molecules (New York Van Nostrand-Reinhold)... 

Herzberg G 1945 Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules (Princeton, NJ Van Nostrand)... 

G. Herzberg, Moleculer Spectra and Molecular Structure III. Electronic Spectra of Polyatomic Molecules, Van Nostrand, New York, 1967. 

Most values were taken from M. W. Chase, Jr., C. A. Davies, J. R. Downey, Jr.. D. J. Frurip, R. A. McDonald, and A. N. Syverud, "JANAF Thermochemical Tables, Third Edition", J. Phys. Chem. Ref. Data, 14, Supplement No. 1, 1985. A few (in parentheses) came from G. Hertzberg, Molecular Spectra and Molecular Structure, I. Spectra of Diatomic Molecules, and 11. In frared and Raman Spectra of Polyatomic Molecules, Van Nostrand Reinhold Co.. New York. 1950 and 1945. 

G. Herzberg, Molecular Spectra and Molecular Structure, Vol. II - Infrared and Raman Spectra of Polyatomic Molecules, Van Nostrand Reinhold, New York, 1945 In the crystalline state, it is more convenient to speak about multi-phonon processes since the modes from the whole dispersion range of the first Brillouin zone are allowed to contribute according to the conservation of energy and momentum of the phonons involved in the process... 

Herzberg, G. Molecular spectra and molecular structure. III. Electronic spectra and electronic structure of polyatomic molecules, Chapt. IV. Princeton, N. J. D. Van Nostrand 1966. 

In this chapter, the descriptions of molecular structure will be primarily in terms of a valence bond approach, but the molecular orbital method will be discussed in Chapter 5. As we shall see, construction of molecular orbital diagrams for polyatomic species is simplified by making use of symmetry, which will also be discussed in Chapter 5. 

In this chapter, the diverse coupling constants and MEC components identified in the combined electronic-nuclear approach to equilibrium states in molecules and reactants are explored. The reactivity implications of these derivative descriptors of the interaction between the electronic and geometric aspects of the molecular structure will be commented upon within both the EP and EF perspectives. We begin this analysis with a brief survey of the basic concepts and relations of the generalized compliant description of molecular systems, which simultaneously involves the electronic and nuclear degrees-of-freedom. Illustrative numerical data of these derivative properties for selected polyatomic molecules, taken from the recent computational analysis (Nalewajski et al., 2008), will also be discussed from the point of view of their possible applications as reactivity criteria and interpreted as manifestations of the LeChatelier-Braun principle of thermodynamics (Callen, 1962). 

Heberle J (1971) The Debye integrals, the thermal shift and the Mossbauer fraction. In Mossbauer Effect Methodology Vol 7. Gruverman IJ (ed), Plenum, p 299-308 Herzberg G (1945) Molecular Spectra and Molecular Structure. II. Infrared and Raman Spectra of Polyatomic Molecules. Von Nostrand Reinhold, New York Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev 136 B864-871... 

G. Herzberg, Molecular Spectra and Molecular Structure. I. Diatomic Molecule, Prentice-Hall, New York, 1939 Infrared and Raman Spectra of Polyatomic Molecules, D. Van Nostrand Co., New York, 1945 E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations The Theory of Infrared and Raman Vibrational Spectrat McGraw-Hill Book Co., New York, 1955. 

Herzberg, G., Molecular Spectra and Molecular Structure vol. I Spectra of Diatomic Molecules, Second Edition, 1950 vol. II Infrared and Raman Spectra of Polyatomic Molecules, 1945 vol. Ill Electronic Spectra and Electronic Structure of Polyatomic Molecules, 1966 Van Nostrand, Princeton, New Jersey. Very comprehensive treatments with many tabulations of experimental data. (The data in vols. I and II have been largely superseded by more recent work.)... 

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