Add to ORKGIn previous parts of this series [Mettes et al. (2004). Acta Cryst. A60, 621-636; McClurg & Keith (2010). Acta Cryst. A66, 38-49] a method for constructing global phase diagrams (GPDs) for molecular crystals was developed and the method was applied to single-component ordered crystal structures of tetrahedral molecules. GPDs are useful for visualizing what types of crystal structures a given molecule may assume depending on molecular form/interaction. Their construction uses group-theoretical methods which enumerate all possible symmetry breakings during a statistical mechanical high-to-low temperature search. In this work these results are expanded upon by outlining a method to determine a sufficiently rich parameter space to represent the...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
Polymorphism in molecular crystals has important consequences for the control of materials propertie...
In previous parts of this series [Mettes et al. (2004). Acta Cryst. A60, 621-636; McClurg & Keith (2...
In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al...
In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al...
In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
Additional resources and features associated with this article are available within the HTML version...
We evaluate the phase diagram of the Kern-Frenkel patchy model with four interaction sites for four ...
We evaluate the phase diagram of the Kern-Frenkel patchy model with four interaction sites for four ...
We evaluate the phase diagram of the Kern-Frenkel patchy model with four interaction sites for four ...
About 8% of crystal structures contain more than one independent molecule or formula unit; the numbe...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
Molecular crystals occur in a variety of chemically relevant problems, including pharmaceuticals and...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
Polymorphism in molecular crystals has important consequences for the control of materials propertie...
In previous parts of this series [Mettes et al. (2004). Acta Cryst. A60, 621-636; McClurg & Keith (2...
In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al...
In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al...
In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
Additional resources and features associated with this article are available within the HTML version...
We evaluate the phase diagram of the Kern-Frenkel patchy model with four interaction sites for four ...
We evaluate the phase diagram of the Kern-Frenkel patchy model with four interaction sites for four ...
We evaluate the phase diagram of the Kern-Frenkel patchy model with four interaction sites for four ...
About 8% of crystal structures contain more than one independent molecule or formula unit; the numbe...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
Molecular crystals occur in a variety of chemically relevant problems, including pharmaceuticals and...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
In the pharmaceutical industry, the control of a new drug’s crystal form is key to optimise its form...
Polymorphism in molecular crystals has important consequences for the control of materials propertie...