Annual Reports in Computational Chemistry [electronic resource].
- Published:
- San Diego : Elsevier Science & Technology Books, Oct. 2013.
- Physical Description:
- 1 online resource (128 pages)
- Additional Creators:
- Wheeler, Ralph A.
Access Online
- Contents:
- Machine generated contents note: Section A Quantum Chemistry / Gregory S. Tschumper -- 1.Ligand Steric Descriptors / Wesley D. Allen -- 1.Introduction -- 2.Cone Angles -- 3.Solid Angles -- 4.Conclusion -- References -- 2.Efficient Monomer-Based Quantum Chemistry Methods for Molecular and Ionic Clusters / John M. Herbert -- 1.Introduction and Overview -- 2.Generalized Many-Body Expansion -- 3.Symmetry-Adapted Perturbation Theory for Clusters -- 4.XPol+SAPT with Empirical Dispersion -- 5.Conclusions and Outlook -- Acknowledgements -- References -- Section B Bioinformatics / Wei Wang -- 3.Atomistic Modelling of Phosphopeptide Recognition for Modular Domains / Yu-ming M. Huang -- 1.Introduction -- 2.Methods -- 3.Examples of Modelling of Phosphopeptide and Modular Domain Binding -- 4.Concluding Remarks -- Acknowledgements -- References.
- Summary:
- Annotation Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Quantum chemistryMolecular mechanicsForce fieldsChemical education and applications in academic and industrial settings.
- ISBN:
- 9780444626721
0444626727 (Trade Paper) - Audience Notes:
- Scholarly & Professional Elsevier Science & Technology Books.
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