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Mathematical Challenges from Theoretical/Computational Chemistry.
| Clasificación: | Libro Electrónico |
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| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Washington :
National Academies Press,
1900.
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| Temas: | |
| Acceso en línea: | Texto completo |
| Descripción Física: | 1 online resource (144 pages) |
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| Bibliografía: | ""References""""MATHEMATICS AND FULLERENES""; ""References""; ""QUASICRYSTALS""; ""References""; ""CHEMICAL TOPOLOGY""; ""Combinatorics, Graph Theory, and Chemical Isomer Enumeration""; ""Analysis of Molecular Spectra by Using Cayley Trees""; ""Group Theory, Topology, Geometry, and Stereochemistry""; ""Topology of Polymers""; ""Knots, Links (Catenanes), and DNA""; ""References""; ""GRAPH THEORY""; ""Application of Graph Theory to Organizing Chemical Literature""; ""Application of Graph Theory to Representation of Chemical Reactions""; ""References""; ""X-RAY CRYSTALLOGRAPHY""; ""Remark"" ""References""""4 Mathematical Research Opportunities from Theoretical/Computational Chemistry ""; ""INTRODUCTION""; ""References""; ""NUMERICAL METHODS FOR ELECTRONIC STRUCTURE THEORY""; ""THE N-AND V-REPRESENTABILITY PROBLEMS""; ""References""; ""MELDING OF QUANTUM MECHANICS WITH SIMPLER MODELS""; ""References""; ""MOLECULAR DYNAMICS ALGORITHMS""; ""Enhanced Sampling""; ""Numerical Methods for Solving Ordinary Differential Equations""; ""Symplectic Integrators""; ""The Time Step Problem in Molecular Dynamics""; ""Implicit Integration Schemes""; ""Future Prospects""; ""References"" ""References"" |
| ISBN: | 9780309560641 0309560640 |