E_File_12 - SmBn partitioned Polytope Formalism of constitutional isomerism graphing.nb
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Open Access
Type
SoftwareAuthor/s
Canfield, Peter JohnAbstract
Mathematica script for interactively graphing Dmh site symmetric 𝒮𝑚ℬ𝑛 partitioning approach to the Polytope Formalism of constitutional isomerism. This script uses the .dat output files from the Fortran software in E_File_11 and outputs a wide variety of Graph Theory related files and properties. See details in described in Thesis Chapter 6 and Appendix HMathematica script for interactively graphing Dmh site symmetric 𝒮𝑚ℬ𝑛 partitioning approach to the Polytope Formalism of constitutional isomerism. This script uses the .dat output files from the Fortran software in E_File_11 and outputs a wide variety of Graph Theory related files and properties. See details in described in Thesis Chapter 6 and Appendix H
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Date
2022-11-02Funding information
ARC DP0666378ARC DP0773847
ARC DP150103137
Research Training Program Stipend (SC1999)
Shanghai High-End Foreign Experts Grant
National Natural Science Foundation of China (NSFC; grant no. 11674212)
Licence
Creative Commons Attribution-NonCommercial 4.0Faculty/School
Faculty of Science, School of ChemistryShare