Crystal engineering of pharmaceutical cocrystals in the discovery and development of improved drugs
The subject of crystal engineering started in the 1970s with the study of topochemical
reactions in the solid state. A broad chemical definition of crystal engineering was published …
reactions in the solid state. A broad chemical definition of crystal engineering was published …
Experimental binding energies in supramolecular complexes
F Biedermann, HJ Schneider - Chemical reviews, 2016 - ACS Publications
On the basis of many literature measurements, a critical overview is given on essential
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …
A million crystal structures: The whole is greater than the sum of its parts
The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
The Cambridge Structural Database in retrospect and prospect
CR Groom, FH Allen - Angewandte Chemie International …, 2014 - Wiley Online Library
Abstract The Cambridge Crystallographic Data Centre (CCDC) was established in 1965 to
record numerical, chemical and bibliographic data relating to published organic and metal …
record numerical, chemical and bibliographic data relating to published organic and metal …
Molecular recognition in chemical and biological systems
E Persch, O Dumele, F Diederich - … Chemie International Edition, 2015 - Wiley Online Library
Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …
the identification and quantification of weak noncovalent interactions and understanding the …
Mercury CSD 2.0–new features for the visualization and investigation of crystal structures
The program Mercury, developed by the Cambridge Crystallographic Data Centre, is
designed primarily as a crystal structure visualization tool. A new module of functionality has …
designed primarily as a crystal structure visualization tool. A new module of functionality has …
The Cambridge Structural Database: a quarter of a million crystal structures and rising
FH Allen - Acta Crystallographica Section B: Structural Science, 2002 - scripts.iucr.org
The Cambridge Structural Database (CSD) now contains data for more than a quarter of a
million small-molecule crystal structures. The information content of the CSD, together with …
million small-molecule crystal structures. The information content of the CSD, together with …
New software for searching the Cambridge Structural Database and visualizing crystal structures
Two new programs have been developed for searching the Cambridge Structural Database
(CSD) and visualizing database entries: ConQuest and Mercury. The former is a new search …
(CSD) and visualizing database entries: ConQuest and Mercury. The former is a new search …
Eutectics as improved pharmaceutical materials: design, properties and characterization
S Cherukuvada, A Nangia - Chemical Communications, 2014 - pubs.rsc.org
Eutectics are a long known class of multi-component solids with important and useful
applications in daily life. In comparison to other multi-component crystalline solids, such as …
applications in daily life. In comparison to other multi-component crystalline solids, such as …
Energetic aspects of cyclic pi-electron delocalization: evaluation of the methods of estimating aromatic stabilization energies
MK Cyrański - Chemical reviews, 2005 - ACS Publications
In quantum mechanics the state of an electron is defined within the frame of probabilistic
theory. 1 The electrons of an isolated atom are confined to the space of this atom, which in …
theory. 1 The electrons of an isolated atom are confined to the space of this atom, which in …