WALC B058

J. B. Dudek, A. N. Migues, Organizers, Presiding

Computational chemistry is a long recognized, critical tool for chemical investigation and understanding. However, implementing this new essential in existing high school and undergraduate curricula can prove difficult. This symposium focuses on curricular implementation in the classroom and in the laboratory. Talks highlighting computational chemistry integration across the chemistry and/or general science curriculum are particularly encouraged.

8:00 Introductory Remarks.

8:05 521. Overcoming the barriers to using computational chemistry in your classroom. K. R. Gallagher

8:25 522. Exploring electron configurations of atoms and ions with WebMO and Gaussian. K. Range

8:45 523. Computational chemistry as part of the first-year undergraduate curriculum. J. B. Foresman, K. Howard

9:05 524. Introducing computational chemistry to General Chemistry freshmen vs. Physical Chemistry seniors. D. V. Chulhai

9:25 Closing Remarks.

9:30 Break.

11:00 Introductory Remarks.

11:05 525. Computational Exercises in Physical Chemistry: From Gaussian to the WebMO Mobile App. S. M. Basu

11:25 526. Blended lab for use in undergraduate chemistry courses: The influence of solvent polarity on the cis-trans isomerization of 4-anilo-4’-nitrobenzene. A. N. Migues, J.B. Dudek 

11:45 527. Computational Chemistry Calculations of the Molecular Charge Distribution and Dipole Moments of Solvatofluorchromic Dyes for the Physical Chemistry Curriculum. B. Findley, R. Pawlaczyk

12:05 528. Withdrawn

12:25 Closing Remarks.

12:30 Lunch.

2:00 Introductory Remarks.

2:05 529. Introducing the dihedral angle of H2O2 through computational chemistry. C. Salter

2:25 530. Using computational chemistry to peer through the window at molecules responsible for the greenhouse effect. L. Tribe, K. R. Gallagher

2:45 531. Creating your own chemistry simulations is easier than you think. W.J. Vining

3:05 532. Using the Compute-to-Learn Pedagogy in Physical and General Chemistry Courses. H. P. Hendrickson

3:25 Closing Remarks.

3:30 Break.

3:45 Introductory Remarks.

3:50 533. Visualizing potential energy surfaces to deepen chemical understanding. J. L. Sonnenberg

4:10 534. Computational Chemistry in the Inorganic Classroom: Using WebMO and Gaussian to Teach Group Theory. A. C. Davis, J.M. Smith

4:30 535. Using Computational Software to Model Concepts in Organic Chemistry Lecture. D. C. Bromfield-Lee

4:50 Panel Discussion. 

5:10 Closing Remarks.