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Acta Crystallographica was established in conjunction with the foundation of the International Union of Crystallography in 1948. Both were established to maintain an international forum for crystallography after the Second World War had led to a loss of international subscription to, and the eventual nine-year closure of, the main pre-war crystallography journal, Zeitschrift für ...
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
The liquid crystal properties arise because mesogenic compounds are composed of rigid and flexible parts, which help characterize the order and mobility of its structure. [2] The rigid components align mesogen moieties in one direction and have distinctive shapes that are typically found in the form of rod or disk shapes. [ 2 ]
Liquid crystal color transitions are used on many aquarium and pool thermometers as well as on thermometers for infants or baths. [84] Other liquid crystal materials change color when stretched or stressed. Thus, liquid crystal sheets are often used in industry to look for hot spots, map heat flow, measure stress distribution patterns, and so on.
The columnar phase is a class of mesophases in which molecules assemble into cylindrical structures to act as mesogens.Originally, these kinds of liquid crystals were called discotic liquid crystals or bowlic liquid crystals [1] because the columnar structures are composed of flat-shaped discotic or bowl-shaped molecules stacked one-dimensionally.
The hallmark of molecular excitons in organic molecular crystals are doublets and/or triplets of exciton absorption bands strongly polarized along crystallographic axes. In these crystals an elementary cell includes several molecules sitting in symmetrically identical positions, which results in the level degeneracy that is lifted by ...
Mercury 2.0 launched in 2008, with additional tools to interpret and compare packing trends in crystal structures. Mercury version released in 2015 and later provides an additional functionality to generate 3D print. [6] The current Version 4.0 of Mercury developed its visual interface up to a greater extent by comparing with its old versions. [2]
Electron microscopy of antisites (a, Mo substitutes for S) and vacancies (b, missing S atoms) in a monolayer of molybdenum disulfide.Scale bar: 1 nm. [1]A crystallographic defect is an interruption of the regular patterns of arrangement of atoms or molecules in crystalline solids.