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Computational Sites Next Page »                      Suggest a Site 1. EPSRC National Service for Computational Chemistry Software Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [9] 2. Doubly Nudged Elastic Band Method A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [8] 3. 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. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [7] 4. Cambridge University Silicon Graphics Teaching Laboratory An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [5] 5. Computational Chemistry and Organic Synthesis A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [4] 6. Computational Chemistry Roadmap Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [2] 7. Australian Computational Chemistry Via the Internet Project A set of web-based teaching modules. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [1] 8. CMM Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [1] 9. 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 More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [1] 10. Computational Chemistry Resources Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques. More Info.... | Rating: [0.00] Rate It | Comments | Modify | Report | Hits: [1] Next Page »                      Suggest a Site