In this Festschrift dedicated to the 85th birthday of Professor Guosen Yan, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides va…
In this Festschrift dedicated to the 60th birthday of Gregory S. Ezra, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuabl…
This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms). Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-tim…
This text examines in detail mathematical and physical modeling, computational methods and systems for obtaining and analyzing biological structures, using pioneering research cases as examples. As such, it emphasizes programming and problem-solving skills. It provides information on structure bioinformatics at various levels, with individual chapters covering introductory to advanced aspects, …
This work provides in-depth analysis of the origins of landscape ecology and its close alignment with the understanding of scale, the causes of landscape pattern, and the interactions of spatial pattern with a variety of ecological processes. The text covers the quantitative approaches that are applied widely in landscape studies, with emphasis on their appropriate use and interpretation. Th…
The present work offers a snapshot of the state-of-the-art of crystallographic, analytical, and computational methods used in modern drug design and development. Topics discussed include: drug design against complex systems (membrane proteins, cell surface receptors, epigenetic targets, and ribosomes); modulation of protein-protein interactions; the impact of small molecule structures in drug d…
This comprehensive presentation of the integral equation method as applied to electro-analytical experiments is suitable for electrochemists, mathematicians and industrial chemists. The discussion focuses on how integral equations can be derived for various kinds of electroanalytical models. The book begins with models independent of spatial coordinates, goes on to address models in one dimensi…
These notes describe how to average and fit numerical data that have been obtained either by simulation or measurement. Following an introduction on how to estimate various average values, they discuss how to determine error bars on those estimates, and how to proceed for combinations of measured values. Techniques for fitting data to a given set of models will be described in the second part o…
This monograph tackles three challenges. First, show a mathematics-based meta-model that matches known elementary particles. Second, apply models, based on the meta-model, to match other known physics data. Third, predict future physics data. The math features solutions to isotropic pairs of isotropic quantum harmonic oscillators. This monograph matches some solutions to known elementary partic…
This textbook, now in its second edition, provides students with a firm grasp of the fundamental notions and techniques of applied mathematics as well as the software skills to implement them. The text emphasizes the computational aspects of problem solving as well as the limitations and implicit assumptions inherent in the formal methods. Readers are also given a sense of the wide variety of p…