Modern charge-density analysis
Carlo Gatti; Piero Macchi (eds.)
- XXIII, 783 S. Ill., graph. Darst
A guided tour through modern charge density analysis Carlo Gatti and Piero MacchiElectron densities and related properties from the ab-initio simulation of crystalline solids / Cesare Pisani ... [et al.] Modeling and analysing thermal motion in experimental charge density studies Anders Ř. Madsen Spin and the complementary worlds of electron position and momentum densities Jonathan A. Duffy and Malcom J. Cooper Past, present and future of charge density and density matrix refinements Jean-Michel Gillet and Tibor Koritsanszky Using wavefunctions to get more information out of diffraction experiments Dylan Jayatilaka Local models for joint position and momentum density studies Jean-Michel Gillet Magnetization densities in material science Béatrice Gillon and Pierre Becker Beyond standard charge density topological analyses Angel Martín Pendás ... [et al.] On the interplay between real and reciprocal space properties Wolfgang Scherer ... [et al.] Intermolecular interaction energies from experimental charge density studies Paulina M. Dominiak, Enrique Espinosa and János G. Ángyán Chemical information from charge density studies Ulrike Flierler, Dietmar Stalke and Louis J. Farrugia Charge density in materials and energy science Jacob Overgaard ... [et al.] A generic force field based on quantum chemical topology Paul L. A. Popelier Frontier applications of experimental charge density and electrostatics to bio-macromolecules Christian Jelsch ... [et al.] Charge densities and crystal engineering Mark A. Spackman Electron density topology of crystalline solids at high pressure John S. Tse and Elena V. Boldyreva Bonding changes along solid-solid phase transitions using the electron localization function approach Julia Contreras-Garcia ... [et al.] Multi-temperature electron density studies Riccardo Destro ... [et al.] Transient charge density maps from femtosecond X-ray diffraction Thomas Elsaesser and Michael Woerner Charge density and chemical reactions: a unified view from conceptual DFT Paul A. Johnson ... [et al.].