Quantum chemistry requires ever higher computational performance, with more and more sophisticated and dedicated Python scripts being required to solve challenging problems. Although resources for basic use of Python are widely (and often freely)...Daugiau...
Chemists are increasingly employing artificial intelligence (AI) for diversified applications. This new volume explores the use of AI and its various computer-aided applications in the design of new drugs and chemical products, for toxicity predicti...Daugiau...
(Išleidimo metai: 17-Apr-2025, Hardback, Leidėjas: John Wiley & Sons Inc, ISBN-13: 9781119472599)
Ši knyga nebeleidžiama, tačiau mes Jums pranešime naudoto egzemplioriaus kainą
A comprehensive review of molecular symmetry topics, presenting their practical applications in the context of computational quantum chemistry This book explores the various symmetries that appear in calculations of molecular electronic...Daugiau...
Computational Quantum Chemistry is an extremely useful tool for teaching and research alike. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of diff...Daugiau...
A singular resource for researchers seeking to apply artificial intelligence and robotics to materials science In AI and Robotic Technology in Materials and Chemistry Research, distinguished researcher Dr. Xi Zhu delivers an incis...Daugiau...
This is the fourth edition of the successful textbook on computational chemistry which continues to provide a comprehensive introduction to the theory and practice of computational chemistry. Notable updates include a review of references up to...Daugiau...
This book presents results of the combined use of microwave remote sensing, optical tools, and ecoinformatics methods under solution-applied tasks at both regional and global scales. Ecoinformatics methods are used to assess links between global...Daugiau...
Fundamentals and Applications of Multiway Data Analysis provides comprehensive coverage of the main aspects of multiway analysis, including selected applications that can resolve complex analytical chemistry problems. This book follows on f...Daugiau...
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. End of chapter problems are included throughout, with worked...Daugiau...
R for Quantitative Chemistry is an exploration of how the R language can be applied to a wide variety of problems in what is typically termed Quantitative Chemistry or sometimes Analytical Chemistry. This book will be based upon, in large part...Daugiau...
R for Quantitative Chemistry is an exploration of how the R language can be applied to a wide variety of problems in what is typically termed Quantitative Chemistry or sometimes Analytical Chemistry. Topics include: basic statistics, spectroscop...Daugiau...
This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the rapidly g...Daugiau...
This book examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches,...Daugiau...
This book presents results of the combined use of microwave remote sensing, optical tools, and ecoinformatics methods under solution-applied tasks at both regional and global scales. Ecoinformatics methods are used to assess links between global...Daugiau...
Computational Quantum Chemistry: Theory and Programming is a practical guide aimed at helping readers make the transition from being users of computational chemistry to developers of computational chemistry methods. After introducing quantum c...Daugiau...
The book details mathematical techniques for chemical and other engineers. Many practical examples encountered by chemical (and other) engineers, modern approach involving multiple length and time scales, use of symbolic software (such as Mathemat...Daugiau...
Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening an...Daugiau...
Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an...Daugiau...
