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This accessible and self-contained guide provides a comprehensive introduction to the popular programming language Python, with a focus on applications in chemistry and chemical physics. Ideally suited to students and researchers of chemistry learning to employ Python for problem-solving in their research, this fast-paced primer first builds a solid foundation in the programming language before progressing to advanced concepts and applications in chemistry. The required syntax and data structures are established, and then applied to solve problems computationally. Popular numerical packages are described in detail, including NumPy, SciPy, Matplotlib, SymPy, and pandas. End of chapter problems are included throughout, with worked solutions available within the book. Additional resources, datasets, and Jupyter Notebooks are provided on a companion website, allowing readers to reinforce their understanding and gain confidence applying their knowledge through a hands-on approach.

This book provides a detailed description of the modern variational methods available for solving the nuclear motion Schrödinger equation to enable accurate theoretical spectroscopy of polyatomic molecules.

Polymer Surface Characterization provides a comprehensive approach to the surface analysis of polymers of technological interest by means of modern analytical techniques. Basic principles, operative conditions, applications, performance, and limiting features are supplied, together with current advances in instrumental apparatus. Each chapter is devoted to one technique and is self-consistent; the end-of-chapter references would allow the reader a quick access to more detailed information.After an introductory chapter, techniques that can interrogate the very shallow depth of a polymer surface, spanning from the top few angstroms in secondary ions mass spectrometry to 2-10 nm in X-ray photoelectron spectroscopy are discussed, followed by Fourier transform infrared spectroscopy and chapters on characterization by scanning probe microscopy, electron microscopies, wettability and spectroscopic ellipsometry.

This book focuses on equivalent circuit modeling, parameter identification, and state estimation in Li-ion battery power applications.

This book examines foundational theories in chemical kinetics, taking a hands-on approach that bridges from theory to application. Aimed at senior undergraduate and graduate students, this book focuses on theories that provide insights into basic physical principles that govern the rates of chemical reactions both in the gas phase and in solution.

This fourth volume of the series "Progress in Physical Chemistry" is a collection of mini-review articles written by those who were project leaders and members of the Collaborative Research Centre (SFB) 458 of the German Research Foundation (DFG). The articles are based on ten years of intense coordinated research and report particularly on the scientific progress made at SFB 458 since 2005. Their common theme is the study of ionic motion in disordered materials over wide scales in space and time. The mini reviews thus address key questions in the rapidly developing field of SOLID STATE IONICS, a discipline which has its roots in the physics and chemistry of solids and is now a thriving branch of materials science and engineering. In the materials studied, the dynamics of the mobile ions are de-termined by disorder and interaction. This complicated many-particle problem constitutes an area of basic research in its own right. At SFB 458, it has been tackled on complementary routes, i.e., by synthesis of new disordered electrolytes, by advanced experimental techniques and by numerical simulations and model concepts. Substantial progress has thus been made in developing a coherent view and a new understanding of the ionic motion in materials with disordered structures.