Chemistry Computational
You have found the way to Computational on Chemistry:
- Associations (5)
- Companies (4)
- Journals (15)
- People (17)
- Research Groups (47)
- Structure and Image Repositories (5)
See also:
- Electronic Structure (12)
- Molecular Dynamics (9)
- Molecular Mechanics (1)
- Monte Carlo (3)
Australian Computational Chemistry Via the Internet Project - A set of web-based teaching modules as well as links to related sites.
Cambridge University Silicon Graphics Teaching Laboratory - An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
Centre for Molecular Modeling - Provides 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 archives
Doubly Nudged Elastic Band Method - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
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.
Molecular Modeling for Organic Chemistry - 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 - Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature Help build the largest human-edited directory on the web.