Electronic structure and energy descriptors for molecular crystals from quantum crystallography and X-ray charge density analysis

Publicaciones

Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals

Autores: Peter R. Spackman, Li‐Juan Yu, Craig J. Morton, Michael W. Parker, Charles S. Bond, Mark A. Spackman, Dylan Jayatilaka, Sajesh P. Thomas
Publicado en: Angewandte Chemie International Edition, Edición 58/47, 2019, Página(s) 16780-16784, ISSN 1433-7851
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201906602

Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds

Autores: Khidhir Alhameedi, Amir Karton, Dylan Jayatilaka, Sajesh P. Thomas
Publicado en: IUCrJ, Edición 5/5, 2018, Página(s) 635-646, ISSN 2052-2525
Editor: IUCR
DOI: 10.1107/s2052252518010758

Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism

Autores: Sajesh P. Thomas, Arnaud Grosjean, Gavin R. Flematti, Amir Karton, Alexandre N. Sobolev, Alison J. Edwards, Ross O. Piltz, Bo B. Iversen, George A. Koutsantonis, Mark A. Spackman
Publicado en: Angewandte Chemie International Edition, Edición 58/30, 2019, Página(s) 10255-10259, ISSN 1433-7851
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201905085

Non‐Classical Synthons: Supramolecular Recognition by S⋅⋅⋅O Chalcogen Bonding in Molecular Complexes of Riluzole

Autores: Sajesh P. Thomas, Vijith Kumar, Khidhir Alhameedi, T. N. Guru Row
Publicado en: Chemistry – A European Journal, Edición 25/14, 2019, Página(s) 3591-3597, ISSN 0947-6539
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201805131

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