Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
Abstract
Crystal structures of four new coumarin polymorphs were solved by crystal structure prediction method and their lattice and free energies were calculated by advanced techniques.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2017
- Source ID
- 10.1039/c7sc00168a
Entities
People
- Alexander G Shtukenberg
- Alexandre Tkatchenko
- Andrew L Rohl
- Artem Oganov
- Bart Kahr
- Boaz Pokroy
- Damien J. Carter
- Elia Schneider
- Hongxing Song
- Iryna Polishchuk
- Johannes Hoja
- Leslie Vogt
- Mark E Tuckerman
- Qiang Zhu
Organizations
- Army Research Office
- Australian Research Council
- Courant Institute of Mathematical Sciences, NYU
- Curtin University
- Division of Materials Research
- Max Planck Society
- National Nuclear Security Administration
- New York University
- Russell Berrie Nanotechnology Institute
- Seventh Framework Programme
- Skolkovo Institute of Science and Technology
- Technion – Israel Institute of Technology
- United States Army
- University of Luxembourg
- University of Nevada, Las Vegas
- Yusuf Hamied Department of Chemistry