DFT–Assisted Structure Determination from Powder X-ray Diffraction Data of a New Zonisamide/ϵ-Caprolactam Cocrystal

A Novel, Extremely Bioavailable Cocrystal of Pterostilbene

(2021) Lídia Bofill et al.   CRYSTAL GROWTH & DESIGN

A New and Highly Stable Cocrystal of Vitamin D3 for Use in Enhanced Food Supplements

(2021) Lídia Bofill et al.   CRYSTAL GROWTH & DESIGN

New Cocrystal of Ubiquinol with High Stability to Oxidation

(2020) Lídia Bofill et al.   CRYSTAL GROWTH & DESIGN

Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms

(2018) Srinivasulu Aitipamula et al.   CRYSTENGCOMM

Bond paths between distant atoms do not necessarily indicate dominant interactions

(2018) Mirosław Jabłoński   JOURNAL OF COMPUTATIONAL CHEMISTRY

Pharmaceutical cocrystals: walking the talk

(2016) Geetha Bolla et al.   CHEMICAL COMMUNICATIONS

Pharmaceutical cocrystals: along the path to improved medicines

(2016) Naga K. Duggirala et al.   CHEMICAL COMMUNICATIONS

Multidrug co-crystals: towards the development of effective therapeutic hybrids

(2016) Rajesh Thipparaboina et al.   DRUG DISCOVERY TODAY

Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

(2014) Jacco van de Streek et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

DAJUST: a suite of computer programs for pattern matching, space-group determination and intensity extraction from powder diffraction data

(2012) Oriol Vallcorba et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

New software for statistical analysis of Cambridge Structural Database data

(2011) Richard A. Sykes et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

(2010) Jacco van de Streek et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS