Revealing the true crystal structure of l-phenylalanine using solid-state density functional theory

Identification and Quantification of Polymorphism in the Pharmaceutical Compound Diclofenac Acid by Terahertz Spectroscopy and Solid-State Density Functional Theory

(2011) Matthew D. King et al.   ANALYTICAL CHEMISTRY

Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable?

(2011) H. C. Stephen Chan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation

(2011) Andrew D. Bond et al.   CRYSTENGCOMM

State-resolved THz spectroscopy and dynamics of crystalline peptide–water systems

(2011) Zeeshan Ahmed et al.   FARADAY DISCUSSIONS

Noncovalent Interactions in Paired DNA Nucleobases Investigated by Terahertz Spectroscopy and Solid-State Density Functional Theory

(2011) Matthew D. King et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals

(2011) Matthew D. King et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Terahertz spectroscopy of enantiopure and racemic polycrystalline valine

(2011) Michael R. C. Williams et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation

(2010) V. Milman et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Understanding the Terahertz Spectra of Crystalline Pharmaceuticals: Terahertz Spectroscopy and Solid-State Density Functional Theory Study of (S)-(+)-Ibuprofen and (RS)-Ibuprofen

(2010) Matthew D. King et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Discrimination of Chiral Solids: A Terahertz Spectroscopic Investigation ofl- anddl-Serine

(2010) Matthew D. King et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Solvent-free crystallizations of amino acids: The effects of the hydrophilicity/hydrophobicity of side-chains

(2008) Zhimin Liu et al.   BIOPHYSICAL CHEMISTRY

Dielectric classification of D-and L-amino acids by thermal and analytical methods

(2008) M. E. Matthews et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY