Encyclopedia of Computational Chemistry

Encyclopedia of Computational Chemistry

Online ISBN: 9780470845011

DOI: 10.1002/0470845015

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  1. Ab Initio
  2. Abelian Group
  3. Absolute Electronegativity
  4. Absolute Hardness (η)
  5. Absolute Softness (σ)
  6. ACES II
  7. Adiabatic Approximation
  8. Adiabatic Ionization Potential
  9. Adiabatic Reaction
  10. Adjacency Matrix
  11. Aggregate
  12. Agonist
  13. Agostic Interaction
  14. Algorithm
  15. Alignment
  16. All-atom Model
  17. Alternant or Alternating Hydrocarbon
  18. AM1
  19. AMBER: A Program for Simulation of Biological and Organic Molecules
  20. Anharmonic Molecular Force Fields
  21. Anomeric Effect
  22. Antagonist
  23. Antibonding Molecular Orbital
  24. Antisymmetry Principle
  25. Aqueous Interfaces
  26. Artificial Intelligence in Chemistry
  27. Atomic Charge
  28. Atomic Orbital
  29. Atomic Units
  30. Atoms in Molecules
  31. Aufbau Principle
  32. Autocorrelation
  33. Automerization
  34. Automorphism Group
  35. Avoided Crossing
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