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Tutorials, Info Pages, Miscellanea, etc.

The links below constitute a collection of ‘miscellanea’ such as tutorials and info pages on various topics that might be of interest to other researchers, to students, or other individuals interested in some of the background of our research. Download links are also provided on occasion (see the separate Downloads page for additional download links).

Textbook QTCA

Please follow this link for information regarding Jochen’s textbook Quantum Theory for Chemical Applications (QTCA). An errata sheet and supplementary material for the book can also be downloaded from that web page.

Scientific topics

  1. Circularly and Linearly Polarized Light and Optical Activity

  2. Chirality without an asymmetric carbon

  3. Analyzing calculated NMR parameters: Why is this particular NMR parameter so large / small /weird / ... ?

  4. ‘Orbital-rotation’ models for analyzing NMR shielding, and tables of orbital rotations for p-, d-, and f-orbitals

  5. Graphical representations of rank-2 tensors

  6. Crystal field Hamiltonian and atomic shell splitting

  7. Atomic spinors (spin-orbit eigenfunctions) expressed in a basis of atomic spin orbitals, and matrix elements of the angular momentum and Zeeman operators

TeX, LaTeX, Xe/LuaLaTeX, and related topics

  1. Using LaTeX: Pros and Cons

  2. Font setup with XeLaTeX or LuaLaTeX and fontspec

  3. Tips for writing your research paper/your thesis/your book, using LaTeX

  4. LaTeX to Word conversion

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