January Section Meeting - Moravian University Thursday, January 19th, 5:30-8:30pm Workshop: Bringing Computational Chemistry into the Classroom Priscilla Payne Hurd Academic Complex 1130 Monocacy St, Bethlehem, PA 18018 Speakers: Heidi Hendrickson, Lafayette College Carl Salter, Moravian University Lorena Tribe, PSU/Berks 5:30 Social; 6:00 Dinner; 7:00 Workshop Dinner Cost : $30/member, $15/student Reservations: June Thompson, 610-861-1425, email@example.com Driving Directions/Parking: https://lnkd.in/eM5hWJwn CONTACT: Carl Salter, firstname.lastname@example.org Abstract: The program will be an introduction on the use of WebMO and Gaussian calculations in the chemistry classroom. In the past, semi-empirical and ab initio calculations were often tied to computers programs with software locks, or to desktops computers with licenses. Those days are over! Thanks to WebMO, now calculations can be done over the web, and all students need is a computer or tablet running a browser. Bring your laptop as we show you how to do three simple computational activities that are appropriate for General and Organic Chemistry classes. We’ll investigate a periodic trend, the bond angle in H2O, H2S, and H2Se; we’ll look at the solubility of vitamins, and we’ll predict the energy change that takes place in simple reactions involving electron or proton addition. Our presentation follows the outline of the MoleCVUE workshop given at the BCCE meeting at Purdue last August. The suite of activities can be found at https://lnkd.in/ewcSb6QD For more about WebMO see https://www.webmo.net/ For more about Gaussian see https://gaussian.com/
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