Historical introduction Physical quantities and units Tables of physical quantities Definitions and symbols for units Recommended mathematical symbols Fundamental physical constants Conversion of units References Greek alphabet Index of symbols Pressure conversion factors Energy conversion factors.

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Quantities, Units and Symbols in Physical Chemistry

The pgopher program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. pgopher is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1.

/pdf/pgopher-a-program-for-simulating-rotational-vibrational-and-hhurs09rhf.pdf

PGOPHER: A program for simulating rotational, vibrational and electronic spectra

Tracer-LIF diagnostics: quantitative measurement of fuel concentration, temperature and fuel/air ratio in practical combustion systems

Intramolecular vibrational redistribution is a fundamental phenomenon observed in polyatomic molecules when sufficiently excited vibrationally. In this paper, results mostly from the last two decades of research on this subject are summarized, obtained either from infrared spectroscopy with a resolution of as high as cm or, in a different approach, by using various pump-probe schemes with a temporal resolution from dozens of picoseconds to subpicoseconds.

https://iopscience.iop.org/article/10.3367/UFNe.0182.201210e.1047/pdf

Intramolecular vibrational redistribution: from high-resolution spectra to real-time dynamics

1. General introduction 2. The separation of nuclear and electronic motion 3. The electronic hamiltonian 4. Interactions arising from nuclear magnetic and electric moments 5. Angular momentum theory and spherical tensor algebra 6. Electronic and vibrational states 7. Derivation of the effective hamiltonian 8. Molecular beam magnetic and electric resonance 9. Microwave and far-infrared magnetic resonance 10. Pure rotational spectroscopy 11. Double resonance spectroscopy Appendices.

https://physicstoday.scitation.org/doi/pdf/10.1063/1.1878342

Rotational Spectroscopy of Diatomic Molecules

Editorial Board: W. G. E. Caldwell, OC, FRSC (University of Western Ontario); K. G. Davey, OC, FRSC (York University); S. Gubins (Annual Reviews); B. K. Hall, FRSC (Dalhousie University); P. Jefferson (Agriculture & Agri-Food Canada); W. H. Lewis (Washington University); A. W. May, OC (Memorial University of Newfoundland); N. R. Morgenstern, CM, AOL, FRSC (University of Alberta); B. P. Dancik, Editor-in-Chief, NRC Research Press (University of Alberta)

F. A. Matsen

Papers

Molecular symmetry and spectroscopy