Chemistry 156

Physical Chemistry in Molecular Biology

Handouts

  1. Course Syllabus

  2. Using MAPLE in equilibrium calculations

  3. Using Mathematica in Equilibrium Calculations

  4. the KINMECH executable, kinmech.exe (a FORTRAN program, compiled and linked under Windows). Run under DOS mode. The use of the program is described in the handout for Graded Exercise II.

  5. Material related to molecular modeling (not used in the spring, 2006 version of the course)
    • Molecular Modeling in Undergraduate Education, detailed notes of a presentation give by Warren Hehre, Professor Emeritus, UC-Irvine and CEO, Wavefunction, Inc. and Alan Shusterman, Professor of Chemistry, Reed College. The document was downloaded from H. S. Rzepa's modeling Web page at Imperial College.
    • Spartan manual on reserve at Seeley G. Mudd Library (Pomona Science Library):
      • W. J. Hehre, B. J. Deppmeier, and P. E. Klunziger, A PC Spartan Pro Tutorial, Wavefunction, Inc., Irvine, CA (1999). The tutorial illustrates how to use Spartan Pro, to perform a wide range of modeling calculations, and to interpret the results.
      • W. J. Hehre, J. Yu, P. E. Klunziger, and L. Lou, A Brief Guide to Molecular Mechanics and Quantum Chemical Calculations, Wavefunction, Inc., Irvine, CA (1998). A useful introduction to selected techniques in molecular modeling.

  6. More material will follow.

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last revised, 11 January 2006