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Principles of Molecular Mechanics Book

Principles of Molecular Mechanics
Principles of Molecular Mechanics, Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in industry and academia are routinely applying the principles of molecular, Principles of Molecular Mechanics has a rating of 3 stars
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Principles of Molecular Mechanics, Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in industry and academia are routinely applying the principles of molecular, Principles of Molecular Mechanics
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  • Principles of Molecular Mechanics
  • Written by author Katsunosuke Machida
  • Published by Wiley, John & Sons, Incorporated, September 1999
  • Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in industry and academia are routinely applying the principles of molecular
  • Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in industry and academia are routinely applying the principles of molecular
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Preface
Ch. 1Introduction1
Ch. 2Molecular Force Field5
Ch. 3Equilibrium Structure of Molecules45
Ch. 4Normal Coordinate Analysis75
Ch. 5Rotations and Anharmonic Vibrations of Molecules113
Ch. 6Thermodynamic Functions152
Ch. 7Electric Properties of Molecules173
Ch. 8Simulation of Vibrational Spectra194
Ch. 9Mechanics of Molecular Crystals214
App. 1The Cosine Theorem in Spherical Trigonometry276
App. 2Matrix Elements of the Coordinates and Momenta with the Wave Functions for Harmonic Oscillators277
App. 3The Matrix of Inverse Transformation of r = Cr[subscript c]279
App. 4Average of Exponential Function of a Random Variable281
App. 5Laue Function and Periodic Delta function284
App. 6Evaluation of Debye Function286
App. 7Coherent and Incoherent Neutron Scattering by Crystals289
App. 8Evaluation of the Integral [actual symbol not reproducible] and the Thermal Average of the Square of its Absolute Value [actual symbol not reproducible]296
App. 9Structure Factor and Patterson Function for Coulomb Potential300
App. 10Three-Dimensional Fourier Transform of the Function [actual symbol not reproducible]302
App. 11Differentiation of the Coulomb Potential in Crystals and TO-LO Splitting306
Addendum311
Subject Index313


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