ProChimia is a company that develops and sales chemicals for self assembling, biocompatible, non-fouling and/or functionalized surfaces. Our selection is truly unique, and the quality of our products is unparalleled. The thiols, disulfides, silanes and coupling reagents we sell are rigorously tested for purity and efficiency. The compounds we produce form self assembly monolayer and modify features of both flat surfaces and nanoparticles. We also offer custom synthesis services within a variety fields of organic chemical expertise.

http://www.prochimia.com/

data: 20-04-2010 | szczegóły

A combined QM/MM approach has been developed that describes the reactive part of a chemical system quantum mechanically (QM) and its environment by analytical potential functions or force fields (MM). The QMPOT program which implements this method allows for a flexible combination of different software packages and includes an efficient optimizer for both minima and for transition structures. This way it is possible to locate transition states in systems with several hundred degrees of freedom - an essential prerequisite for the study of chemical reactions and processes in extended systems. Current development of QMPOT involves a cooperation with the Scienomics company. Our present research within the field of hybrid methods is focused on electronic embedding approaches. The main application area within this project is heterogeneous catalysis.

http://www.marek-sierka.com/research/publications

data: 22-07-2011 | szczegóły