Australian Computational Chemistry Via the Internet Project «
http://www.chem.swin.edu.au/ | | A set of web-based teaching modules. |
Cambridge University Silicon Graphics Teaching Laboratory «
http://www.ch.cam.ac.uk/SGTL/ | | An outline of a course in computational chemistry. includes exercises in conformational search , molecular dynamics , visualization , and databases. |
CMM «
http://cmm.info.nih.gov/modeling/ | | Center for molecular modeling: several tutorials related to molecular modeling , directory of software and links to databases. |
Computational Chemistry and Organic Synthesis «
http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html | | A tutorial intended for experimental organic chemists , with emphasis on computational methods for locating and characterizing transition states. |
Computational Chemistry Comparison and Benchmark Database «
http://srdata.nist.gov/cccbdb/Default.htm | | 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 «
http://www.ccl.net/chemistry/ | | 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 Resources «
http://www.chem.swin.edu.au/chem_ref.html | | Directory of links related to computational chemistry. offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques. |
Doubly Nudged Elastic Band Method «
http://www-wales.ch.cam.ac.uk/~sat39/DNEBtests/ | | A framework for finding transition states based on the nudged elastic band method , balancing accuracy with efficiency. |
EPSRC National Service for Computational Chemistry Software «
http://www.nsccs.ac.uk/ | | Provides software , specialist consultation , computing resources , and software training to support uk academics. directions , staff , news , and publications. |
First Principles Research, Inc. «
http://www.firstprinciples.com | | Research theorists in physics and chemistry. |
Intertek ASG Computational Chemistry Group «
http://www.intertek-cb.com/newsitetest/services/asg/compchem.shtml | | 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 «
http://www.nyu.edu/pages/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 «
http://www.mathub.com/ | | Features current and background information about molecular modeling and informatics for chemistry and materials science. |
Molecular Docking Web «
http://www.scripps.edu/mb/olson/people/gmm/ | | Protein-ligand docking , structures , bioinformatics , computational chemistry , and drug design resources. |
Molecular Modeling for Organic Chemistry «
http://origin.ch.ic.ac.uk/local/organic/mod/ | | Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in organic chemistry. links to background and supplemental information. |
