Electron Density and Chemical Bonding II: Theoretical Charge Density Studies

ISBN-13: 9783642308079 / Angielski / Twarda / 2012 / 290 str.

Dietmar Stalke

Opis

Includes: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis; Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement; and Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.

Spis treści

New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.- Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.- Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.- Electron Density in Quantum Theory.- Residual Density Analysis.- The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities.

Blurb

T. Koritsanszky, A. Volkov, M. Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.-

B. Dittrich, D. Jayatilaka: Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.-

B. Engels, Th. C. Schmidt, C. Gatti, T. Schirmeister, R.F. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.-

S. Fux, M. Reiher: Electron Density in Quantum Theory.-

K. Meindl, J.Henn: Residual Density Analysis.-

C. Gatti: The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities.