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This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former…mehr
This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former will test their own views with the one exposed in the book; the newcomers, instead, will learn both what has been done and what could be done with quantum crystallography.
Chapter 1. Introduction.- Chapter 2. How does quantum mechanics jump in the field of crystallography?.- Chapter 3. Beyond the semi-classical view of atoms and molecules in crystals.- Chapter 4. Testing chemical bond theories with Quantum crystallography.- Chapter 5. Calculating the crystal wavefunction from crystallographic experiments.- Chapter 6. Crystallography and the standard model.- Chapter 7. Quantum Crystallography in the everyday life of a crystallographer and a quantum chemist.- Chapter 8. Concluding remarks.
Chapter 1. Introduction.- Chapter 2. How does quantum mechanics jump in the field of crystallography?.- Chapter 3. Beyond the semi-classical view of atoms and molecules in crystals.- Chapter 4. Testing chemical bond theories with Quantum crystallography.- Chapter 5. Calculating the crystal wavefunction from crystallographic experiments.- Chapter 6. Crystallography and the standard model.- Chapter 7. Quantum Crystallography in the everyday life of a crystallographer and a quantum chemist.- Chapter 8. Concluding remarks.
Chapter 1. Introduction.- Chapter 2. How does quantum mechanics jump in the field of crystallography?.- Chapter 3. Beyond the semi-classical view of atoms and molecules in crystals.- Chapter 4. Testing chemical bond theories with Quantum crystallography.- Chapter 5. Calculating the crystal wavefunction from crystallographic experiments.- Chapter 6. Crystallography and the standard model.- Chapter 7. Quantum Crystallography in the everyday life of a crystallographer and a quantum chemist.- Chapter 8. Concluding remarks.
Chapter 1. Introduction.- Chapter 2. How does quantum mechanics jump in the field of crystallography?.- Chapter 3. Beyond the semi-classical view of atoms and molecules in crystals.- Chapter 4. Testing chemical bond theories with Quantum crystallography.- Chapter 5. Calculating the crystal wavefunction from crystallographic experiments.- Chapter 6. Crystallography and the standard model.- Chapter 7. Quantum Crystallography in the everyday life of a crystallographer and a quantum chemist.- Chapter 8. Concluding remarks.
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