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elements of the NDH2 molecule and its reverse equilibri...Figure 2.4. Symmetry elements of the CH4 molecule. For a color version of this f...Figure 2.5. The symmetry element of proper rotation C3 and two of three planes o...Figure 2.6. Element of symmetry of proper rotation C2 and the two planes of symm...

      3 Chapter 3Figure 3.1. Internal coordinates of NH3 and CDH3. For a color version of this fi...Figure 3.2. Internal coordinates ri of the CH4 molecule inscribed in a cube. For...Figure 3.3. Internal coordinates bi of the CH4 4molecule inscribed in a cube. Fo...Figure 3.4. Internal coordinates of the NDH2 molecule. For a color version of th...

      4 Chapter 4Figure 4.1. Geometrical characteristics of a symmetric top molecule of type XY3 ...Figure 4.2. Definition of the fixed direct orthonormal systems of axes: (O,

,
...Figure 4.3. Vibration modes of a symmetric top molecule of type XY3. The arrows ...Figure 4.4. System of axes (G,
,
,
) attached to the equilibrium configuratio...Figure 4.5. Displacement vectors of the nuclei, at an instant t, during a vibrat...Figure 4.6. Definition of the system of symmetry coordinates of a symmetric top ...Figure 4.7. Vibration–inversion mode of a pyramidal symmetric top molecule XY3. ...Figure 4.8. Rotational levels scheme of an oblate symmetric top of type XY3. The...Figure 4.9. Potential energy of the vibration–inversion mode ν2 of an ammonia NH...

      5 Chapter 5Figure 5.1. Normal modes of vibration of CH4: a) stretching ν1 of type A1; b) be...Figure 5.2. Spectrum of the degenerate three-dimensional harmonic oscillator [ME...Figure 5.3. a) Angular momentum in the physical space; b) angular momentum in th...Figure 5.4. a) Composition of angular momenta; b) projections of angular momentaFigure 5.5. Possible transitions of a cold band from the fundamental level to th...

       List of Tables

      1 Chapter 1Table 1.1. Schoenflies and Hermann–Mauguin notationsTable 1.2. (Cayley) group C3v multiplication tableTable 1.3. The point groups of 32 classes of symmetry and the equivalence betwee...Table 1.4. Table of characters giving the classes (number of elements hi) of the...Table 1.5. Tables of characters of symmetry operations (Ok), classes of operatio...Table 1.6. Table of characters of the symmetry operations (Ok) for each nucleus ...Table 1.7. Elements of the rotation matrix | for irreducible representations: (a...Table 1.8. Multiplication (Cayley) table of the symmetric group S3Table 1.9. Table of characters of symmetric groups: a) for S2 and b) for S3Table 1.10. Transformations of Euler angles and components of rovibronic angular...Table 1.11. Characters of the rotation symmetry operations of type C2, C3, C4 an...Table 1.12. Table of correlation and characters of symmetry operations of group ...Table 1.13. Table of correlation and characters of the symmetry operations of gr...Table 1.14. Table of correlation and characters of symmetry operations of group ...Table 1.15. Table of characters of representation of group T generated by the ba...Table 1.16. Direct product of irreducible representations of group C3vTable 1.17. Direct product of irreducible representations of group D3hTable 1.18. Direct product of irreducible representations of group Td (for group...

      2 Chapter 2Table 2.1. Multiplication table (Cayley) of the C1v groupTable 2.2. Table of characters and symmetry properties of (C1v group) operatorsTable 2.3. Multiplication (Cayley) table of the Cs groupTable 2.4. Table of characters and symmetry properties of (Cs group) operatorsTable 2.5. Table of characters of the direct product group Cs ⊗ C3vTable 2.6. Table of characters of the direct product group Cs ⊗ C1vTable 2.7. Table of characters of the Td groupTable 2.8. Table of characters of the D3h(M) group for NH3Table 2.9. Table of characters of the C3v(M) group for CDH33Table 2.10. Table of characters of the C2v(M) group for CD2H2Table 2.11. Table of characters of the Td(M) group for CH4

      3 Chapter 3Table 3.1. Table of characters of the reducible representation for NH3Table 3.2. Table of characters of the reducible representation for CDH3Table 3.3. Table of characters and symmetry properties of the operators of group...Table 3.4. Coefficients aα of the irreducible representations A1 and A2 of group...Table 3.5. Coefficients aα of the irreducible representation E of group C3v for ...Table 3.6. Coefficients aα of the irreducible representations A1 and A2 of group...Table 3.7. Coefficients aα of the irreducible representation E of group C3v for ...Table 3.8. Table of characters of the reducible representation for CH4Table 3.9. Coefficients aα of the irreducible representations a) A1; b) A2; c) E...Table 3.10. Table of characters of the reducible representation for CH2D2Table 3.11. Table of characters and symmetry properties of operators of group C2...Table 3.12. Coefficients aα of the irreducible representations a) A1; b) A2; c) ...Table 3.13. Table of transformation of ri and θi of group C3v of NH3Table 3.14. Coefficients aα of the irreducible representations of group C3v for ...Table 3.15. Coefficients aα of the irreducible representations of group C3v for ...Table 3.16. Table of transformations of ri and θi of group C3v of CDH3Table 3.17. Coefficients aα of the irreducible representations of group Td for t...Table 3.18. Coefficients of the stretching and bending internal coordinates in t...Table 3.19. Coefficients of bending internal coordinates in the irreducible repr...Table 3.20. Coefficients aα of the irreducible representations of group C2v for ...Table 3.21. Transformation of vectors bi under the symmetry operations of group ...Table 3.22. Coefficients aα of the irreducible representations of group C1v for ...Table 3.23. Table of characters of group C3v end of sub-group C1vTable 3.24. Table of correlation of groups Kh or (SO(3)), C3v and TdTable 3.25. Table of characters of group D3h (M) and D3h for NH3hTable 3.26. Table of characters of group C3v (M) and C3v for CDH3Table 3.27. Statistical weights of rovibronic states for NH3 without inversion C...Table 3.28. Symmetries of rotational levels and statistical weights of rovibroni...Table 3.29. Statistical weights of the rovibronic states of CH4 for J = 0 to J =...

      4 Chapter 4Table 4.1. Cartesian coordinates of the nuclei of a symmetric top molecule of ty...Table 4.2. Geometric characteristics, rotational constants, and dipole and quadr...Table 4.3. Cartesian coordinates of the nuclei of the ammonia NH3 molecule in th...Table 4.4. Internal harmonic force constants of the ammonia NH3 molecule. Energy...Table 4.5. Mass and force constant matrix elements and elements of the matrix to...Table 4.6. Mass and force constant matrix elements and elements of the matrix to...Table 4.7. Harmonic frequencies of the vibration modes of the NH3 moleculeTable 4.8. Frequencies beyond the harmonic approximation of the vibrational mode...Table 4.9. Level splitting and allowed transition frequencies of the vibration–i...

      5 Chapter 5Table 5.1. Symmetry types of the normal vibration coordinates of the translation...Table 5.2. Table of characters of group Td (M) for CH4Table 5.3. Eigenvalues of H and set of eigenvectors common to N1 and N2 that gen...Table 5.4. Decomposition of tensor products into irreducible representations; on...Table 5.5. Coefficients of the transition matrix

for j = 1 to 4 [CHA 77b]; for ...Table 5.6. Stone coefficientsTable 5.7. IR and Raman transitions allowed by the selection rules for methane

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