PC Crystal Chemistry Analysis of Organic Crystal Structures
نویسندگان
چکیده
منابع مشابه
Temperature Tunability of Dielectric/ Liquid Crystal / Dielectric Photonic Crystal Structures
Recently, photonic crystals doped with liquid crystal (LC) material havegained much research interest. In this article new ternary one-dimensional photoniccrystal introduced and studied. The liquid crystal layer of 5CB and 5PCH is sandwichedby two dielectric layers. For the first time, we use four structures SiO2/UCF35/CaF2,SiO2/5CB/CaF2, NFK51/UCF35/NPSK53 and NFK51/5CB/NPSK53. The effect ofte...
متن کاملCrystal Structures of Organic Compounds
X-ray crystallography is an important method for determination of the arrangement of atoms within a crystal of compound in which a beam of X-rays strikes a crystal and causes the beam of light to spread into many specific directions. From electron density, in the molecule the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds and various other informat...
متن کاملSurvey and analysis of crystal polymorphism in organic structures
With the intention of producing the most comprehensive treatment of the prevalence of crystal polymorphism among structurally characterized materials, all polymorphic compounds flagged as such within the Cambridge Structural Database (CSD) are analysed and a list of crystallographically characterized organic polymorphic compounds is assembled. Classifying these structures into subclasses of anh...
متن کاملExtracting Crystal Chemistry from Amorphous Carbon Structures
Carbon allotropes have been explored intensively by ab initio crystal structure prediction, but such methods are limited by the large computational cost of the underlying density functional theory (DFT). Here we show that a novel class of machine-learning-based interatomic potentials can be used for random structure searching and readily predicts several hitherto unknown carbon allotropes. Rema...
متن کاملPredicting crystal structures of organic compounds.
Currently, organic crystal structure prediction (CSP) methods are based on searching for the most thermodynamically stable crystal structure, making various approximations in evaluating the crystal energy. The most stable (global minimum) structure provides a prediction of an experimental crystal structure. However, depending on the specific molecule, there may be other structures which are ver...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2000
ISSN: 0108-7673
DOI: 10.1107/s0108767300026428