Computational (131)

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http://www.chem.swin.edu.au/
Australian Computational Chemistry Via the Internet Project Open in a new browser window
   A set of web-based teaching modules.
   http://www.chem.swin.edu.au/
http://cmm.info.nih.gov/modeling/
CMM Open in a new browser window
   Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
   http://cmm.info.nih.gov/modeling/
http://www.ch.cam.ac.uk/SGTL/
Cambridge University Silicon Graphics Teaching Laboratory Open in a new browser window
   An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
   http://www.ch.cam.ac.uk/SGTL/
http://srdata.nist.gov/cccbdb/Default.htm
Computational Chemistry Comparison and Benchmark Database Open in a new browser window
   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.
   http://srdata.nist.gov/cccbdb/Default.htm
http://www.ccl.net/chemistry/
Computational Chemistry List Open in a new browser window
   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
   http://www.ccl.net/chemistry/
http://www.chem.swin.edu.au/chem_ref.html
Computational Chemistry Resources Open in a new browser window
   Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.
   http://www.chem.swin.edu.au/chem_ref.html
http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html
Computational Chemistry and Organic Synthesis Open in a new browser window
   A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
   http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html
http://www-wales.ch.cam.ac.uk/~sat39/DNEBtests/
Doubly Nudged Elastic Band Method Open in a new browser window
   A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
   http://www-wales.ch.cam.ac.uk/~sat39/DNEBtests/
http://www.nsccs.ac.uk/
EPSRC National Service for Computational Chemistry Software Open in a new browser window
   Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications.
   http://www.nsccs.ac.uk/
http://www.firstprinciples.com
First Principles Research, Inc. Open in a new browser window
   Research Theorists in Physics and Chemistry.
   http://www.firstprinciples.com
http://www.intertek-cb.com/newsitetest/services/asg/compchem.shtml
Intertek ASG Computational Chemistry Group Open in a new browser window
   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.
   http://www.intertek-cb.com/newsitetest/services/asg/compchem.shtml
http://www.mathub.com/
MatHub Open in a new browser window
   Features current and background information about molecular modeling and informatics for chemistry and materials science.
   http://www.mathub.com/
http://www.nyu.edu/pages/mathmol/
MathMol Open in a new browser window
   Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
   http://www.nyu.edu/pages/mathmol/
http://www.scripps.edu/mb/olson/people/gmm/
Molecular Docking Web Open in a new browser window
   Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
   http://www.scripps.edu/mb/olson/people/gmm/
http://origin.ch.ic.ac.uk/local/organic/mod/
Molecular Modeling for Organic Chemistry Open in a new browser window
   Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
   http://origin.ch.ic.ac.uk/local/organic/mod/

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