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  • Basis Set Exchange (BSE) Zapisz - Provides a web-based user interface for downloading and uploading Gaussian-type basis sets, including effective core potentials.
  • Centre for Molecular Modeling Zapisz - Provides several tutorials related to molecular modeling, directory of software and links to databases.
  • Chemical Aid Zapisz - Periodic table, element information, glossary and tools.
  • Computational Chemistry Comparison and Benchmark Database Zapisz - NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basis sets.
  • Computational Chemistry List Zapisz - A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
  • Computational Chemistry and Organic Synthesis Zapisz - A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
  • Doubly Nudged Elastic Band Method Zapisz - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
  • MathMol Zapisz - Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
  • Molecular Docking Web Zapisz - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
  • Molecular Modeling for Organic Chemistry Zapisz - Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
  • QSAR World Zapisz - Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature