Modern Charge-Density Analysis
Modern Charge-Density Analysis focuses on state-of-the-art methods and applications of electron-density analysis. It is a field traditionally associated with understanding chemical bonding and the electrostatic properties of matter. Recently, it has also been related to predictions of properties and...
| Συγγραφή απο Οργανισμό/Αρχή: | |
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| Άλλοι συγγραφείς: | , |
| Μορφή: | Ηλεκτρονική πηγή Ηλ. βιβλίο |
| Γλώσσα: | English |
| Έκδοση: |
Dordrecht :
Springer Netherlands,
2012.
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| Θέματα: | |
| Διαθέσιμο Online: | Full Text via HEAL-Link |
Πίνακας περιεχομένων:
- A guided tour through modern charge density analysis
- Electron densities and related properties from the ab-initio simulation of crystalline solids
- Modeling and analysing thermal motion in experimental charge density studies
- Spin and the Complementary Worlds of Electron Position and Momentum Densities
- Past, present and future of charge density and density matrix refinements
- Using wavefunctions to get more information out of diffraction experiments
- Local Models for Joint Position and Momentum Density Studies
- Magnetization densities in material science
- Beyond Standard Charge Density Topological Analyses
- On the Interplay Between Real and Reciprocal Space Properties
- Intermolecular interaction energies from experimental charge density studies
- Chemical Information from Charge Density Studies
- Charge density in materials and energy science
- A generic force field based on Quantum Chemical Topology
- Frontier Applications of Experimental Charge Density and Electrostatics to Bio-Macromolecules
- Charge densities and crystal engineering
- Electron Density Topology of Crystalline Solids at High Pressure
- Bonding changes along solid-solid phase transitions using the Electron Localization Function approach
- Multi-temperature electron density studies
- Transient Charge Density Maps from Femtosecond X-Ray Diffraction
- Charge density and chemical reactions: a unified view from Conceptual DFT.
