XEDA Documentation

Contents:

• Manual
  • Keywords for XEDA
    • $CTR section
    • $GEO section
    • $EDA section
    • $VEC section
• Tutorial
  • Examples
    • H-bond in NH₃\(\cdots\)H₂O
    • Covalent bond in CH₃-NH₂
    • Ionic bond in NaCl
    • \(\pi\)-\(\pi\) interaction
  • Exercises
    • Energy Decomposition Analysis for Menshutkin Reaction
    • Cation-pi interaction
    • Water tetramer
    • Multiple bond
    • Using initial guess
    • Base Pair (Guanine\(\cdots\)Cytosine)
    • Non-covalent interactions in S66