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Theoretical Chemistry

Theoretical Chemistry is a specialized field within chemistry dedicated to creating and applying theoretical models and mathematical methods. It aims to comprehend and forecast the behavior of chemical systems, elucidate chemical processes, guide experimental research, and predict molecular behavior.

  • Computational Modeling
  • Quantum Mechanics
  • Molecular Dynamics
  • Statistical Mechanics
  • Density Functional Theory (DFT)
  • Reaction Mechanisms
  • Force Fields
  • Predictive Capabilities
  • Interdisciplinary Collaboration
  • Applications
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