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WebMO - Computational chemistry on the WWW
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WebMO 19.0 is now available for free download!

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March 31, 2020
Workshops Using WebMO

Many workshops use WebMO to teach and access computational chemistry programs. A list of upcoming or recent workshops follows:

  • Computational Chemistry for Chemistry Educators Workshop
    Monday, June 1 – Friday, June 5, 2020
    Mount Saint Mary College, Newburgh, NY

    This five-day Computational Chemistry for Chemistry Educators (CCCE) summer workshop, offered in collaboration with the Extreme Science and Engineering Discovery Environment (XSEDE, supported by National Science Foundation grant number ACI-1548562), and Mount Saint Mary College will begin 10 AM Monday, June 1 and will finish by noon on Friday, June 5. This workshop emphasizes hands-on molecular modeling and other web-based and commercial software important for incorporating computational chemistry into the undergraduate curriculum. No previous experience with molecular modeling is required. A list of topics includes:

    • Introduction to Computational Chemistry
    • Basis Sets
    • Choice of Theoretical Method
    • Single Point Energies and Geometry Optimizations
    • Electron Density, Electrostatic Potential, and Reactivity
    • Predictions Modeling in Solution
    • Computing Vibrational Frequencies and Thermochemical Properties
    • Computing UV-Vis and NMR Spectra
    • Quantitative Structure Activity Relationships (QSAR)
    • Transition States
    • Systems Dynamics/Chemical Kinetics

    A more detailed description of these topics can be found at www.computationalscience.org/ccce/.

    Registration for the limited number of seats is open and can be accessed at the XSEDE User Portal. Breakfast, lunch, dinner, and single occupancy dorm rooms (with shared bathrooms) will be provided free of charge. Plan to arrive late afternoon/early evening on Sunday, May 31 – dinner will be provided. Funding is available for faculty from Minority Serving Institutions. Some funds are also available to support faculty with financial need.

    There is no charge for the workshop. Participants are responsible for transportation costs to and from Mount Saint Mary College. Transportation to/from Stewart International Airport and Metro-North’s Beacon Train Station will be provided at select times.

    For further information, contact Dr. Shawn Sendlinger (ssendlin@nccu.edu).

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