Python for Chemistry
Python for Chemistry: An introduction to Python algorithms, Simulations, and Programing for Chemistry
English | 2023 | ASIN: B0BYZLRFG8 | 470 Pages | True EPUB | 7 MB
English | 2023 | ASIN: B0BYZLRFG8 | 470 Pages | True EPUB | 7 MB
The objective of this book is to give a gentle introduction to Python programming with relevant algorithms, iterations, and basic simulations from a chemist’s perspective. This book outlines the fundamentals of Python coding through the built-in functions, libraries, and modules as well as with a few selected external packages for physical/materials/inorganic/analytical/organic/ nuclear chemistry in terms of numerical, symbolic, structural, and graphical data analysis using the default, Integrated Development and Learning Environment. You will also learn about the Structural Elucidation of organic molecules and inorganic complexes with specific Cheminformatics modules. In addition to this, the book covers chemical data analysis with Numpy and also includes topics such as SymPy and Matplotlib for Symbolic calculations and Plotting.