MS Modeling 3.1

MS Modeling 3.1 modeling and simulation software offers updated technology and adds validated simulation methods in key application areas such as chemistry, materials-based industries and nanotechnology. NMR CASTEP predicts accurate nuclear magnetic resonance (NMR) chemical shielding tensors and quadrupolar coupling constants for any material. This simulation method helps to characterize organic molecules, organic crystals, inorganic crystals and amorphous compounds. The software facilitates researchers modeling crystal structure and crystallization processes. The addition of Morphology to the product aids in offering a range of technologies to study this problem set, which impacts industrially-important issues such as the dissolution rate of chemicals and the biological availability of drugs. Morphology simulates the bulk shape of a crystal based on its molecular-level structure, providing insight that helps researchers to control this shape and the processing properties that it determines. Also included with this release is Synthia, which calculates polymer properties using statistical correlation methods, allowing researchers to screen polymers and copolymer blends. Forcite Plus is an advanced molecular simulation tool for materials ranging from simple molecules, via 2-D surfaces, to 3-D periodic structures such as crystals.