CMM: - Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
Computational Chemistry and Organic Synthesis: - A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
Computational Chemistry Comparison and Benchmark Database: - 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: - 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 archive.
Doubly Nudged Elastic Band Method: - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
Intertek ASG Computational Chemistry Group: - Services provided by the group include the calculation of molecular properties using computational chemistry, the management, analysis, visualisation and modelling of data, training, consultancy and problem solving.
MathMol: - Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
MatHub: - Features current and background information about molecular modeling and informatics for chemistry and materials science.
Molecular Docking Web: - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
A Brief Introduction to Computational Problems in.
M.S. Quantitative and Computational Finance Gradua
