Quantum Chemistry

Quantum Chemistry is the science of electronic behaviour of atoms and molecules pertaining to their reactivity. THis book provides a clear and crisp introduction to the principles of quantum mechanics and advanced topics like Abinitio method, Huckel-MO theory. Designed for both undergraduate and post graduate students of chemistry, the book will also suit the requirements of students appearing for GATE, CSIR exams

Author(s): Raman K V, Selvakumar M S

Old Quantum CHemistry
Mathematics for Quantum Chemistry
Classical Mechanics
Principles of Quantum Chemistry
Particle in a Box Model
The Harmonic Oscillator and Rigid Rotor
Hydrogen Atom and Hydrogen-like Ions
Approximation Methods
Molecular Orbital (MO) and Valance Bond (VB)
Huckel MO Calculations, the Usage of Group Theory and some Semi-empirical Methods
EXERCISES
APPENDIX
SI units, Physical Constants, Conversion Factors and some Useful
Character Tables of Important Point Groups With Symmetry Numobers of Molecules Belonging to these Point Groups
Some Special DIfferential Equations and Polynomials in Quantum Chemistry
Jacobians
Atomic Units in Quantum Mechanics
Jacobi Diagonalization Procedure for Obtaining Eigenvalues and Eigenvectors of Symmetric Matrices
Extended HMO, CNDO, INDO, NDDO and ab initio MO Methods
REFERENCES

  • Solved and unsolved problems
  • Objective type questions with keys
  • Includes a detailed chapter on Mathematics for Quantum Chemistry
  • Computer program for Jacobi Diagonalisation Procedure
  • ISBN : 9788182091030
    Price : 300.00
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    • Published: 22 August 2011
    • Edition: 1
    • ISBN: 9788182091030
    • Availability: In Stock
    • Pages: 278