Computational Chemistry

• Associations
• Electronic Structure
• Journals
• Molecular Dynamics

• Monte Carlo
• People
• Research Groups
• Structure and Image Repositories

• Science: Chemistry: Software 

• Center for Molecular Modeling  - Research archive on molecular modeling in software, hardware and other applications.
• Computational Chemistry and Organic Synthesis  - Tutorial intended for experimental organic chemists on computational methods.
• Computational Chemistry List Limited  - Independent electronic forum for chemists and educators globally.
• EPSRC National Service for Computational Chemistry Software  - Aims to supply UK chemists with access to computational chemistry software packages, hardware resources and specialist consultation.
• Intertek Caleb Brett  - Provides laboratory testing and outsourcing, consulting, cargo inspection and certification services for clients on a global basis.
• MathMol  - Serves as a starting point for software related to molecular modeling.
• Molecular Docking Web  - Presents the publication of the author on related documents to structures, bioinformatics, computational chemistry, and other journals.
• Molecular Modelling for Organic Chemistry  - Syllabus of lecture course which focuses on introducing hierarchy of computational modeling methods used in organic chemistry.
• National Institute of Standards and Technology  - Links to experimental and computational thermochemical data.