The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which ...
If this is the case, the value of d for which E(d) has a minimum is the theoretically determined bond length. This is outlined in Figure 10.3. Figure 10.3: Schematic representation of various energies as a function of the bond length of ...
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Quantum Chemistry
The biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties.
The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which ...
This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry.
Quantum Chemistry Student Edition ...
This textbook introduces the reader to quantum theory and quantum chemistry.
Integrating many new computer-oriented examples and problems throughout, this modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of...
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements.
This book is a valuable resource for chemists.
This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry.
... upshot is that this whole formalism simply hides the real causes of chemical bonding: the nuclear attraction and ... now is: Why, when it is so simple to see that the idea of spin pairing as a cause of chemical bonding is such a red ...
This compact work clarifies why quantum chemistry is so essential for understanding the electronic behavior and chemical bonding of atoms and molecules.
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements.
"The Sixth Edition of this widely used textbook presents quantum chemistry for beginning graduate students and advanced undergraduates.
This Book Supplements The Author'S Text On Quantum Chemistry.
Quantum Chemistry: Solutions manual to accompany Quantum chemistry
... Exploring Aspects of Computational Chemistry . Concepts and Exercises . Presses Universitaires de Namur , Belique , 1997 . Atkins , P. W. , Friedman , R. S .: Molecular Quantum Mechanics , Oxford Univ . Press , Oxford , 1996 , and ...