Contributions of charge-density research to medicinal chemistry
This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares refinement of aspherical-atom population parameters are summarized. Next, inter...
Main Authors: | Birger Dittrich, Chérif F. Matta |
---|---|
Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2014-11-01
|
Series: | IUCrJ |
Subjects: | |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2052252514018867 |
Similar Items
-
New Polymorphs of the Phase-Change Material Sodium Acetate
by: Birger Dittrich, et al.
Published: (2018-05-01) -
Quantum crystallographic charge density of urea
by: Michael E. Wall
Published: (2016-07-01) -
Experimental charge density of grossular under pressure – a feasibility study
by: Roman Gajda, et al.
Published: (2020-05-01) -
On the Charge Density Refinement of Odd-Order Multipoles Invariant under Crystal Point Group Symmetry
by: Pietro Roversi, et al.
Published: (2017-04-01) -
Anharmonic Thermal Motion Modelling in the Experimental XRD Charge Density Determination of 1-Methyluracil at T = 23 K
by: Riccardo Destro, et al.
Published: (2021-05-01)