Skip to main content
Elsevier
View Cart

Books in Chemistry

Chemistry topic areas include: physical and theoretical, computational, organic, organometallic and inorganic, pharmaceutical and medicinal, analytical and bioanalytical, nuclear, general, nanochemistry, geochemistry, materials and polymer, as well as environmental, green and sustainable chemistry.

BooksJournals

    • Density Functional Theory

      Current Trends and Applications
      • 1st Edition
      • Volume 25
      • Aleksey E. Kuznetsov
      • English
      Density Functional Theory: Current Trends and Applications first examines the foundational knowledge surrounding DFT, examining some of its key concepts, such as the Thomas–Fermi model and the Hohenberg–Kohn–Sham theory; looking at the wealth of exchange–correlation functionals; and the advantages and disadvantages of DFT compared to the MO (molecular orbital ) theory and other methods, before exploring the areas of future DFT development. The second section then examines the practical methods and approaches for DFT, looking at the types of density functionals, such as LSDA (local spin-density approximation), GGA (generalized gradient approximation), and meta-GGA functionals; hybrid functionals; DFTB (density functional tight binding) methods; dispersion-corrected functionals; time-dependent DFT; and the plane-wave approach. It also looks at the relationships between DFT and ab initio molecular dynamics and the QM/MM (quantum mechanics/molecular mechanics) approach.This book is designed for graduate- and postgraduate-level students and postdoctoral researchers principally studying computational and physical chemistry, who want to obtain an up-to-date overview and understanding of density functional and its applications.

    • Progress in Medicinal Chemistry

      • 1st Edition
      • Volume 64
      • English
      Progress in Medicinal Chemistry, Volume 64 highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.

    • Advances in Organometallic Chemistry

      • 1st Edition
      • Volume 84
      • English
      Advances in Organometallic Chemistry, Volume 84, the latest release in this longstanding serial, is known for its comprehensive coverage of topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more. Sample chapter titles in this new release include Grignard-type Reactions for the Synthesis of Calcium-Based Organometallics, Alkylidyne-alkylidyn... coupling reactions and related chemical transformations at a multimetallic site, and Heterocyclic Organogermanium Derivatives, and much more.

    • Machine Learning in Drug Development: Part 1

      • 1st Edition
      • Volume 64
      • English
      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.

    • Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry

      A Practical Guide
      • 1st Edition
      • Dipak Kumar Mandal
      • English
      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.

    • Drug Discovery Stories, Volume 2

      • 1st Edition
      • Bin Yu + 1 more
      • English
      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
      • 1st Edition
      • Luis A. Rivera-Rivera + 1 more
      • English
      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

      • 1st Edition
      • Atta-ur-Rahman
      • English
      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

      • 1st Edition
      • Volume 92
      • English
      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.

    • Theoretical and Physical Chemistry of Triel Bonding

      Properties, Mechanisms, and Catalysis
      • 1st Edition
      • Volume 24
      • SÅ‚awomir Janusz Grabowski
      • English
      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.

Related subjects

Analytical chemistry

Chemistry general

Inorganic chemistry

Organic chemistry

Physical and theoretical chemistry

Spectroscopy