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Main navigation

  • Explore
    • -
      • Q-Chem 5.3 Highlights
      • Density Functional Theory
        • 200+ Density Functionals
        • Dispersion Corrections
        • Constrained DFT
      • Electron Correlation
      • Excited States
        • CIS and Time-Dependent DFT
        • Correlated Excited-State Methods
        • Wave Function Analysis Tools
      • Solvation and Embedding
        • Continuum Solvation Models
    • -
      • Spectroscopy Modeling
        • X-ray Spectroscopy by Correlated Methods
        • X-ray Spectroscopy by TDDFT and ROKS
      • Molecular Interactions
        • Energy Decomposition Analysis
        • Extended Symmetry-Adapted Perturbation Theory
      • Chemical Reactions
      • Dynamics
        • Ab initio Molecular Dynamics
        • Non-Adiabatic Dynamics
  • Learn
    • -
      • Getting Started with Q-Chem
      • Computational Labs
      • Teaching with Q-Chem
      • Webinars
      • User's Manual
      • Q-Chem Talk Forum
  • Try Now
    • -
      • Try with IQmol
      • Try on Your Own Computer
      • Try Q-Chem in the Cloud
  • Purchase
    • -
      • Request a Quote
      • QMP Subscription
      • Authorized Resellers
      • License Agreement
  • Support
    • -
      • Technical Support
      • User's Manual
      • Q-Chem Talk Forum
      • Q-Chem 5.3 Release Log
  • About Q-Chem
    • -
      • About Q-Chem
      • Q-Chem Team
      • Developer Community
      • Michael Wormit Award
      • Publications
      • Partnerships
      • Summer at Q-Chem
      • Careers
      • Contact Us

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