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Taller de Química Computacional

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Material introductorio del Taller práctico sobre Química Computacional ofrecido en el 55 Aniversario de Ciencias Químicas, evento organizado por la SALCQ.

Material introductorio del Taller práctico sobre Química Computacional ofrecido en el 55 Aniversario de Ciencias Químicas, evento organizado por la SALCQ.

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Transcript

  • 1. Werner Heisemberg (1901-1976)Erwin Schrödinger (1887-1961)
  • 2. Werner Heisemberg (1901-1976)Erwin Schrödinger (1887-1961)
  • 3. (1900-1976)donde es una variable ajustable y a0 es el radio de Bohrigual a 0.53A. N es una constante de normalización.
  • 4. A. Szabo, N. Ostlund, “Modern Quantum Chemistry: Introduction to AdvancedElectronic Structure Theory” Editorial Dover
  • 5. http://emls.bse.gov
  • 6. http://emls.bse.gov
  • 7. Jan Jensen, “Molecular Modeling Basics” CRC Press Taylor & Francis Group (2010)