Mathematics & Computational Concepts in Chemistry

Based on the invited and special lectures presented at the International Symposium on Applications of Mathematical Concepts to Chemistry held at Dubrovnik in 1985. Contents: Preface / N Trinajstic; 1. Introductory Remarks / V Prelog; 2. The Mathematical Training of Chemists / J N Murrell; 3. The Effect of Electronegativity on Bond Lengths in Molecular Mechanics Calculations / N L Allinger et al; 4. On Graph-Theoretical Polynominals in Chemistry / K Balasubramanian; 5. Algorithms for Coding Chemical Compounds / D Bonchev, et al; 6. Application of the Monte Carlo Method for Studying the Hydration of Molecules: Base Stacking / V I Danilov; 7. Steric Effects on Rates and Equilibria / D F DeTar; 8. Molecular Typology, Electron Charge Distributions, and Molecular Properties / B M Gimarc and J J Ott; and chapters 9 to 29 - See more at: https://www.mikeslibrary.com/pages/books/6218/nenad-trinajstic-international-union-of-pure-applied-chemistry/mathematical-and-computational-concepts-in-chemistry#sthash.2oIh7aFY.dpuf