Enhanced Intensity Distribution Analysis of the Rotational–Vibrational Spectrum of HCl

Determination of Carbon Dioxide, Carbon Monoxide, and Methane Concentrations in Cigarette Smoke by Fourier Transform Infrared Spectroscopy

“…Students are reacquainted with FTIR spectroscopy in physical chemistry laboratory work. A steady stream of physical chemistry FTIR experiments has appeared in this Journal . − In an experiment by Reeve and co-workers, cigarette smoke was used as a sample source to analyze the FTIR spectra of CO, CH 4 , and HCN found in cigarette smoke. In another cigarette smoke analysis using an inexpensive IR gas cell constructed by the authors, different gaseous species were identified by their vibrational peak positions .…”

The Statistical Interpretation of Classical Thermodynamic Heating and Expansion Processes

“…Kozliak 3 and Novak 4 have suggested using alternative quantitative molecular approaches to entropy and the second law as one means to bridge the gap between the "thermodynamics first" and "quantum first" perspectives of the physical chemistry curriculum. Furthermore, several articles recently appearing in this Journal 5,6 have presented ways in which to integrate the teaching of spectroscopy and statistical mechanics. To emphasize the significance and elucidate the statistical basis of the second law, several unique approaches to introducing statistical mechanics have also been described.…”

“…Kozliak and Novak have suggested using alternative quantitative molecular approaches to entropy and the second law as one means to bridge the gap between the “thermodynamics first” and “quantum first” perspectives of the physical chemistry curriculum. Furthermore, several articles recently appearing in this Journal , have presented ways in which to integrate the teaching of spectroscopy and statistical mechanics. To emphasize the significance and elucidate the statistical basis of the second law, several unique approaches to introducing statistical mechanics have also been described. , Consistent with a number of articles that have elucidated the nature of entropy in terms of the dispersal of energy, − these approaches provide students the ability to conceptualize the statistical molecular behavior of matter from the microscopic to the macroscopic.…”

Numerical solution of Schrodinger equation for rotating Morse potential using matrix methods with Fourier sine basis and optimization using variational Monte‐Carlo approach

“…The obtained ro‐vibrational spectrum from simulation data has been plotted along with actual experimental data in Figure 2. The intensities are obtained as per procedure given in Fetterolf [21]. From Table 3, one can observe that results obtained through simulation by optimizing potential parameters through VMC are better than those obtained from analytical technique using multiple regression data.…”