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  • synthesis
  • The calculations are being used to interpret experimental results obtained for heterogeneous catalysis at pure metallic, bimetallic or metal supported surfaces, to design new compounds with capability to inhibit falcipains and to understand the templated condensation of silica in the synthesis of periodic mesoporous (organo)silicas (PMO or PMS materials). (ua.pt)
  • Stu has made discoveries and fundamental advances in bulk solid oxides, molecular oxide clusters, sulfides, and carbides applied to Fischer-Tropsch synthesis, hydrodesulfurization, oxidation, and acid catalysis. (nacatsoc.org)
  • analytical
  • Postgraduate students are offered a variety of practical training courses which include the full use of the analytical instrumentation and services availablem and are encouraged to attend our seminars and to attend international scientific meetings relevant to their research area. (bath.ac.uk)
  • undergraduate
  • Buck Taylor is a Portland native, growing up in the Parkrose area before attending Willamette University for his undergraduate degree. (up.edu)
  • physical
  • I believe that the students and postdoctoral scholars working with me in this area will be part of a generation of scientists who will contribute to the exciting crossroads of medicine and the physical sciences. (berkeley.edu)
  • The first chapter introduces how computational chemistry might aid in the understanding of physical phenomena. (ufl.edu)
  • This dissertation contributes to the field of computational drug design by demonstrating the soundness of the pairwise interaction energy additivity approximation and encouraging the use of uncertainty assessment for computed physical properties. (ufl.edu)
  • design
  • We are addressing questions that affect our lives in a broad range of areas such as rapid identification of disease, the safety, design and response variations of drugs, damage to our genetic DNA by radiation and chemicals, and the fundamental basis for biomolecular structure, interactions and recognition. (gsu.edu)
  • Approaches
  • Included in our efforts has been the development of successful and versatile ab initio composite schemes, called correlation consistent Composite Approaches (ccCA), that provide reduced computational cost (in terms of computer time, memory, and disk space) means to achieve energetic predictions. (msu.edu)
  • current
  • Catalysis is ubiquitous in modern academic and industrial chemistry as well as an integral and indispensable discipline that may contribute to solutions of current global challenges. (europa.eu)
  • development
  • There is sufficient flexibility in each year of study to enable development of knowledge, experience and skills appropriate to a range of science-based careers or particular areas of interest. (timeshighereducation.com)
  • We are developing a better understanding of the fundamental properties of lanthanide species, as well as the methodologies needed to describe their energetic and spectroscopic properties, and utilizing this knowledge in areas such as separation science and the development of new methodologies for heavy elements. (msu.edu)
  • interest
  • His main research interest is in the general area of material chemistry, processing and manufacturing. (sme.org)
  • Another area of interest is in gauging the performance of methodologies, such as density functional theory, particularly for situations where there may be few, if any, needed experiments for comparison. (msu.edu)