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

Density Functional Dependence in the Theoretical Analysis of the Terahertz Spectrum of the Illicit Drug MDMA (Ecstasy)

(2010) Patrick M. Hakey et al.   IEEE SENSORS JOURNAL

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

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

Effect of Waters of Crystallization on Terahertz Spectra: Anhydrous Oxalic Acid and Its Dihydrate

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

A study into the effect of subtle structural details and disorder on the terahertz spectrum of crystalline benzoic acid

(2010) Ruoyu Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Investigation of (1R,2S)-(−)-Ephedrine by Cryogenic Terahertz Spectroscopy and Solid-State Density Functional Theory

(2009) Patrick M. Hakey et al.   CHEMPHYSCHEM

New intermolecular benchmark calculations on the water dimer: SAPT and supermolecular post-Hartree-Fock approaches

(2009) P. Reinhardt et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical analysis of the solid-state terahertz spectrum of the high explosive RDX

(2008) Damian G. Allis et al.   CHEMICAL PHYSICS LETTERS

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(2008)   CRYSTENGCOMM