Problems 3 CHAPTER 11 I Computational Quantum Chemistry .. Manual; to Carole McQuarrie, who spent many hours in the library and on the internet. Molecular Quantum Mechanics (3rd Edition) by P.W. Atkins and R.S. Friedman. Quantum Chemistry (Physical Chemistry Series) by Donald A. McQuarrie. Quantum Chemistry, Second Edition, by Donald McQuarrie, published by University Science Books, X.
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Download FREE PDF: Physical & Quantum Chemistry by McQuarrie and Solution Manuals. (Please find the attached link of my Google Drive, you may sometime. Still a best-selling text after a remarkable twenty-four years in print, Don McQuarrie has updated his landmark Quantum Chemistry into a keenly anticipated. Problems & Solutions to Accompany McQuarrie - Simon Physical Chemistry: A quantum mechanics as applied to chemistry problems, such a Quantum.
This is a very clear and well-organized presentation and development of quantum chemistry of atoms and molecules Strongly suggested for acquisition. Highly recommended. The second edition is loaded with clear and methodical explanations, and a broad array of worthwhile problems. The new material on electronic structure theory and computation is a great addition and really helps students see what going on inside the "black box" of modern molecular modeling tools.
The result is impressive. The first half of the book, 15 chapters and approximately pages, develops a modern perspective on quantum mechanics and its applications including NMR, computational quantum chemistry, and lasers and laser spectroscopy.
Chapter 1 is the customary historical introduction, which unfortunately repeats many of the errors of textbook histories. That quibble aside, the material is developed carefully and systematically, beginning with a consideration of classical waves.
The prose is clean and serviceable though not inspired , and the book is well illustrated with appropriate diagrams and graphs. I only wish the publisher had used heavier paper so the type on the reverse side of the page could not be seen. All teachers of physical chemistry struggle with mathematics. Many students have either forgotten or never learned the necessary mathematical concepts and techniques.
The MathChapters appear immediately before they are needed to develop the scientific topic. Both students and faculty should find these chapters helpful. Following the extensive development of quantum chemistry is a nice chapter on the properties of gases.
I was pleased to see discussions of both the Redlich—Kwong equation the best two-parameter equation of state for real gases and the relationship of the second virial coefficient to intermolecular forces. Thermodynamics is then developed from a molecular perspective beginning with the Boltzmann factor and partition functions. In the subsequent exposition of classical thermodynamics the authors effectively use the molecular basis they have developed.
This is a real strength of this book; students will develop a deep understanding of the power of statistical thermodynamics.
To keep the size of the book manageable, McQuarrie and Simon have eliminated several traditional applications of thermodynamics. There are no chapters on solution thermodynamics and activities, electrochemistry, or the phase rule. The book continues with an exposition of chemical kinetics.
A nice treatment of the kinetic theory of gases is followed by chapters on rate laws, reaction mechanisms, and gas-phase reaction dynamics. The final chapter is on solids and surface chemistry. Madura, Duquesne University.
Perhaps the biggest change in the years since the first edition appeared is the proliferation of computational chemistry programs that are available to calculate molecular properties. McQuarrie has presented step-by-step SCF calculations of a helium atom in Chapter 9 and a hydrogen molecule in Chapter 10, in addition to including an entire chapter on the Hartree-Fock method and post-Hartree-Fock methods for the calculation of molecular properties.
The final sections discuss configuration interaction, coupled-cluster theory and density functional theory, at least semi-quantitatively, so that the reader can be aware of the computational methods that are being used currently. The book also uses problems to encourage the use of an invaluable National Institute of Science and Technology NIST website that lists experimental data and the results of various ab initio calculations for hundreds of molecules.
Other changes include the discussion of molecular spectroscopy throughout the chapters on the harmonic oscillator and the rigid-rotator. The hydrogen atom, along with its electronic spectroscopy, is discussed in a separate chapter. And in the following chapter, which is devoted entirely to multielectron atoms, a website for Hartree-Fock atomic orbitals is introduced. After learning the structure of these atomic orbitals, they are used to calculate atomic properties for multielectron atoms.
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