Mathematical Challenges from Theoretical/Computational Chemistry.

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Bibliographic Details
Main Author: Staff, National Research Council
Format: eBook
Language:English
Published: Washington : National Academies Press, 1900.
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Online Access:Click for online access
Description
Physical Description:1 online resource (144 pages)
Bibliography:""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
Source of Description, Etc. Note:Print version record.