PChemLabTXT_page_81

PChemLabTXT | page 81 | https://thedailydialectics.com/pdfs/education/chemistry/p-chem/PChemLabTXT/PChemLabTXT.pdf

Confirming Pages 70 Chapter Ill Use of Computers FIGURE 1 An Excel spreadsheet comparing potential energy curves calculated for HCI for Morse and harmonic oscillator models with ab initio quantum mechanical results obtained with the program Gaussian. The example illustrates the use of cell formulas…