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Elsevier

Libros en Química

  • Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry

    A Practical Guide
    • 1 Edición
    • Dipak Kumar Mandal
    • Inglés
    Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry: A Practical Guide is a crucial text for students of organic chemistry. This book provides simple, yet quantifiable explanations based on molecular orbital-based reasoning. It seeks to deepen the reader's understanding of long-standing concepts in MO theory, while also formulating new ones through perturbation molecular orbital theory. Written for undergraduates, graduates, and researchers, the book includes many problems with detailed solutions, allowing readers to test their knowledge as they progress through each chapter.The book emphasizes a practical and pedagogical approach, perfected through the authors' extensive teaching experience. It is ideal for those wishing to gain a thorough understanding of molecular orbital theory, from students to seasoned chemists. The text aims to be distinct in its methodology, making it accessible to a wide audience. The inclusion of in-chapter problems helps reinforce learning, ensuring that readers can immediately apply what they have learned. This book serves as an indispensable resource for anyone seeking to master this fundamental aspect of organic chemistry.

  • Machine Learning in Drug Development: Part 1

    • 1 Edición
    • Volumen 64
    • Inglés
    Machine Learning in Drug Development: Part One, Volume 64 in the Annual Reports on Medicinal Chemistry series, highlights new advances in the field. Chapters in this release include Artificial Intelligence in Small Molecule and Nucleic Acid Research: A Review, AI-aided Drug Development for Protein Degraders: Design, Lead Identification, and Optimization, AI-aided Drug Development for Protein Degraders: Biology Validation, Disease-association, Drug Repurposing, Transforming Modern Drug Discovery with Machine Learning, Artificial Intelligence in the Development of Antiviral Drugs: Progress and Applications, Artificial Intelligence for Drug Target Identification, and Machine Learning in Proteomic Biomarker Discovery.

  • Drug Discovery Stories, Volume 2

    • 1 Edición
    • Bin Yu + 1 más
    • Inglés
    Drug Discovery Stories, Volume Two showcases the discovery journeys of recent blockbuster drugs approved between 2023 and 2024, along with promising drug candidates. This book delves into structural biology, biological functions of targets, hit compound identification, hit-to-lead optimization, binding modes, key biological and pharmacokinetic data, and clinical results. It also covers other candidate compounds against the same targets and includes additional content based on the authors' choices. The series addresses the rapid evolution in drug discovery and development, appealing to those in chemical biology, synthetic chemistry, and pharmacology.By highlighting interdisciplinary collaboration, the authors plan to release updated editions every few years to ensure the content reflects the latest achievements and breakthroughs in the field.

  • Canonical Approaches to Interatomic Interactions

    Theory and Applications
    • 1 Edición
    • Luis A. Rivera-Rivera + 1 más
    • Inglés
    Typical pathways for modelling interatomic interactions involve the plotting of potential energy against radial displacement, but such approaches can be computationally costly. Canonical Approaches to Interatomic Interactions: Theory and Applications provides an overview of the field and presents a replicable, novel force-based approach that demonstrates accurate and quantitative interrelations between weakly bound and strong covalently bound intermolecular interactions.Beginni... with an introduction to Potential Energy Surfaces (PES) and modern approaches in Part 1, Part 2 goes on to describe Canonical Approaches in detail, including methodologies and data to allow replication. Part 3 then goes on to outline some key applications, before future directions are discussed in Part 4.Sharing the insight of its progressive authors, Canonical Approaches to Interatomic Interactions: Theory and Applications is an informative guide for all those working with interatomic interactions and PES, including researchers in in chemical kinetics and bonding, molecular mechanics, quantum chemistry and molecular modelling.

  • Studies in Natural Products Chemistry Vol 87

    • 1 Edición
    • Atta-ur-Rahman
    • Inglés
    Natural products in the plant and animal kingdom offer a huge diversity of chemical structures that are the result of biosynthetic processes that have been modulated over the millennia through genetic effects. With the rapid developments in spectroscopic techniques and accompanying advances in high-throughput screening techniques, it has become possible to isolate and then determine the structures and biological activity of natural products rapidly, thus opening up exciting opportunities in the field of new drug development to the pharmaceutical industry. Studies in Natural Products Chemistry covers the synthesis or testing and recording of the medicinal properties of natural products, providing cutting edge accounts of the fascinating developments in the isolation, structure elucidation, synthesis, biosynthesis and pharmacology of a diverse array of bioactive natural products.

  • A Snapshot of Molecular Electronic Structure Theory and its Applications

    • 1 Edición
    • Volumen 92
    • Inglés
    A Snapshot of Molecular Electronic Structure Theory and its Applications, Volume 92 in the Advances in Quantum Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Polynomial expression of variable precision of molecular integrals for orbital exponents and atomic distances over STO, A first step towards the development of exchange-correlation functionals from X-ray diffraction data, Quantum Mechanical Insights into the Properties of Graphene-like Zinc Oxide (g-ZnO), Theoretical study of structural aspects and interactions between Ederavone and Cucurbit(7)uril, Time dependent potential models for atomic spectroscopy in atmospheric plasmas, and much more.Additional chapters cover Anionic resonances of Mg and Ca from an electron propagator based on a multiconfigurational reference state and a complex absorbing potential, Massively Lockstep-Parallel Algorithms for Full-Isomerspace Geometry Optimization, A Comprehensive Investigation of the Dirac-like Equation. A case study hydrogen-like atomic and molecular systems, Many-Body Expansion of systems from Hydrogen bonded systems to Light Nuclear Systems, and more.

  • Main Group Chemistry

    • 1 Edición
    • Volumen 85
    • Inglés
    Main Group Chemistry, Volume 85 in the Advances in Inorganic Chemistry series, highlights advances in the field, with this new volume presenting chapters written by an international board of authors.

  • Theoretical and Physical Chemistry of Triel Bonding

    Properties, Mechanisms, and Catalysis
    • 1 Edición
    • Volumen 24
    • Sławomir Janusz Grabowski
    • Inglés
    Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis explores triel and their compounds, providing a detailed analysis of their molecular and electronic structures, areas often disputed and controversial. It offers a comprehensive description and explanation, emphasizing the unique differences between boron and heavier triel atoms. Key sections cover theoretical foundations, types of interactions, and examples of triel bonds and their characteristics. Additionally, the book highlights triel elements functioning as catalysts and boron compounds in hydrogen storage. Designed for advanced students and researchers in physical or theoretical/computat... chemistry, it will also interest organic and inorganic chemists.Compounds of boron and other triel centres have been the subject of numerous studies for a long time, with their properties well-known and frequently discussed. However, the more detailed characteristics of triel compounds have not been well analyzed in existing research and their molecular and electronic structures have often been the subject of dispute and controversy. Triel bonds as a thematic area have garnered significant interest in recent years and this book provides a much broader description and explanation of their properties and characteristics than has previously been available, discussing aspects which are unique to triel bonds such as the differences between boron and the heavier triel atoms.

  • Studies in Natural Products Chemistry

    • 1 Edición
    • Volumen 86
    • Atta-ur-Rahman
    • Inglés
    Studies in Natural Products Chemistry, Volume 86 is a comprehensive work that delves into the synthesis, evaluation, and documentation of the medicinal properties found in natural products. The book highlights innovative progress in the discovery, isolation, and analysis of bioactive compounds from both the plant and animal kingdoms. These compounds stem from complex biosynthetic processes shaped over thousands of years by genetic influences. Thanks to breakthroughs in spectroscopic and high-throughput screening techniques, researchers can now quickly identify and assess the structure and biological activity of natural products, opening the door to new pharmaceutical developments.In addition to focusing on isolation and structural analysis, the book explores cutting-edge methods in synthesis, biosynthesis, and pharmacology. It provides readers with up-to-date accounts of advances that fuel new drug discovery and development, making it an essential reference for scientists and professionals in medicinal chemistry, pharmacology, and drug design. The vast chemical diversity covered sets the stage for future innovations in therapeutic research and application.

  • Annual Reports on NMR Spectroscopy

    • 1 Edición
    • Volumen 115
    • Inglés
    Annual Reports on NMR Spectroscopy series, highlights new advances in the field, with this new volume presenting interesting chapters. Each chapter is written by an international board of authors.Magnetic resonance now has a history exceeding 70 years. Not only has the range of applications of magnetic resonance-based techniques grown exponentially but so too has the literature. Consequently, a distillation and synthesis of the literature is in itself an extremely important research tool, providing an efficient means to take newcomers to the research frontiers and keeping experienced researchers aware of contemporary practice. Since 1968 Annual Reports on NMR Spectroscopy been at the vanguard of reviewing the magnetic resonance literature. Annual Reports on NMR Spectroscopy covers magnetic resonance in all its forms, including theory, experiment, applications, and interconnections with other techniques. It also provides the opportunity to make coherent aspects of magnetic resonance that were scattered and opaque. Historical articles including obituaries are also welcomed.Potential authors are encouraged to consult with the Serial Editor.William S. PriceWestern Sydney University, NSW, Australiaw.price@wes...

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