Download or read book Eluvathingal D Jemmis written by Prasad V. Bharatam and published by Springer. This book was released on 2016-08-23 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this festschrift dedicated to Professor Eluvathingal D. Jemmis on the occasion of his 60th birthday, 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. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
Download or read book Computational Chemistry Reviews Of Current Trends Vol 1 written by Nicholas Bodor and published by World Scientific. This book was released on 1996-02-16 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an overview of recent progress in computational techniques as well as examples of the application of existing computational methods in different areas of chemistry, physics, and biochemistry. Introductory chapters cover a broad range of fundamental topics, including: state-of-the-art basis set expansion methods for computing atomic and molecular electronic structures based on the use of relativistic quantum mechanics; the most recent developments in Hartree-Fock methods, particularly in techniques suited for very large systems; the current analysis of the solute-solvent free energy of interaction and the physical bases used to evaluate the electrostatic, cavitation, and dispersion terms; an introduction to the additive fuzzy electron density fragmentation scheme within various ab initio Hartree-Fock quantum-chemical computational schemes, which has provided the means for generating representative molecular fragment densities characteristic to their local environment within a molecule. This book also features a review of recent ab initio calculations on the structure and interactions of DNA bases, a chapter on computational approaches to the design of safer drugs and their molecular properties, and a systematic conceptual study on a route which allows one to stuff fullerenes.
Download or read book 21st Century Nanoscience A Handbook written by Klaus D. Sattler and published by CRC Press. This book was released on 2020-04-08 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 21st Century Nanoscience Handbook will be the most comprehensive, up-to-date large reference work for the field of nanoscience. Handbook of Nanophysics by the same editor published in the fall of 2010 and was embraced as the first comprehensive reference to consider both fundamental and applied aspects of nanophysics. This follow-up project has been conceived as a necessary expansion and full update that considers the significant advances made in the field since 2010. It goes well beyond the physics as warranted by recent developments in the field. This seventh volume in a ten-volume set covers bioinspired systems and methods. Key Features: Provides the most comprehensive, up-to-date large reference work for the field. Chapters written by international experts in the field. Emphasises presentation and real results and applications. This handbook distinguishes itself from other works by its breadth of coverage, readability and timely topics. The intended readership is very broad, from students and instructors to engineers, physicists, chemists, biologists, biomedical researchers, industry professionals, governmental scientists, and others whose work is impacted by nanotechnology. It will be an indispensable resource in academic, government, and industry libraries worldwide. The fields impacted by nanophysics extend from materials science and engineering to biotechnology, biomedical engineering, medicine, electrical engineering, pharmaceutical science, computer technology, aerospace engineering, mechanical engineering, food science, and beyond.
Download or read book The Chemistry of Organolithium Compounds written by Zvi Rappoport and published by John Wiley & Sons. This book was released on 2004-08-20 with total page 1400 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first volume in the series to concentrate on organo-lithium compounds - the sub series "The chemistry of the metal-carbon bond" (5 vol) treated organometallics in general. It deals with theoretical/physical/computational apsects, as well as major spectroscopies, such as MS, NMR, IR/UV etc and both biological and industrial applications. The core of the volume is the synthetic chapters with lots of examples for modern synthetic approaches Written by key researchers in the field An invaluable reference source to organic chemists working in academia and industry Features important reagents in organic synthesis
Download or read book The Chemical Bond written by Gernot Frenking and published by John Wiley & Sons. This book was released on 2014-06-13 with total page 569 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique overview of the different kinds of chemical bonds that can be found in the periodic table, from the main-group elements to transition elements, lanthanides and actinides. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers. This is the perfect complement to "Chemical Bonding - Fundamentals and Models" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community.
Download or read book Chemical Reactivity Theory written by Pratim Kumar Chattaraj and published by CRC Press. This book was released on 2009-02-23 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe
Download or read book 2D Boron Boraphene Borophene Boronene written by Iwao Matsuda and published by Springer Nature. This book was released on 2020-11-18 with total page 167 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the development, properties, and applications of atomic-layered boron, or, borophene. The authors explain how borophene was predicted and created before investigating the properties that make it a desirable and useful material. The material is extremely thin and possesses exotic quantum states of new Dirac physics. Applications in superconductivity, plasmonics, and industrial chemical catalysis are examined, along with an examination of the material’s unique hydrogen boride and boron nitride forms. Given the varied potential uses for the new-developed borophene, this timely book will be useful to researchers in academia and industry.
Download or read book Computational Inorganic and Bioinorganic Chemistry written by Edward I. Solomon and published by John Wiley & Sons. This book was released on 2013-02-19 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated by experiment. When calculations are correlated to, and supported by, experimental data they can provide fundamental insight into electronic structure and its contributions to physical properties and chemical reactivity. This interplay continues to expand and contributes to both improved value of experimental results and improved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-art presentations of quantum mechanical and related methods and their applications, written by many of the leaders in the field. Part 1 of this volume focuses on methods, their background and implementation, and their use in describing bonding properties, energies, transition states and spectroscopic features. Part 2 focuses on applications in bioinorganic chemistry and Part 3 discusses inorganic chemistry, where electronic structure calculations have already had a major impact. This addition to the EIC Book series is of significant value to both experimentalists and theoreticians, and we anticipate that it will stimulate both further development of the methodology and its applications in the many interdisciplinary fields that comprise modern inorganic and bioinorganic chemistry. This volume is also available as part of Encyclopedia of Inorganic Chemistry, 5 Volume Set. This set combines all volumes published as EIC Books from 2007 to 2010, representing areas of key developments in the field of inorganic chemistry published in the Encyclopedia of Inorganic Chemistry. Find out more.
Download or read book Practical Aspects of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2009-10-03 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.
Download or read book Directory of Graduate Research written by American Chemical Society. Committee on Professional Training and published by . This book was released on 2005 with total page 1932 pages. Available in PDF, EPUB and Kindle. Book excerpt: Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
Download or read book Bolet n de actualizaci n written by Instituto Mexicano del Petróleo. División de Información y Difusión and published by . This book was released on 1979 with total page 808 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Landmarks in Organo Transition Metal Chemistry written by Helmut Werner and published by Springer Science & Business Media. This book was released on 2008-12-16 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the discovery of ferrocene and the sandwich-type complexes, the development of organometallic chemistry took its course like an avalanche and became one of the scientific success stories of the second half of the twentieth century. Based on this development, the traditional boundaries between inorganic and organic chemistry gradually disappeared and a rebirth of the nowadays highly important field of homogeneous catalysis occurred. It is fair to say that despite the fact that the key discovery, which sparked it all off, was made more than 50 years ago, organometallic chemistry remains a young and lively discipline.
Download or read book Journal written by American Chemical Society and published by . This book was released on 2002 with total page 1432 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reviews in Computational Chemistry Volume 27 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2010-09-23 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 27 covers brittle fracture, molecular detailed simulations of lipid bilayers, semiclassical bohmian dynamics, dissipative particle dynamics, trajectory-based rare event simulations, and understanding metal/metal electrical contact conductance from the atomic to continuum scales. Also included is a chapter on career opportunities in computational chemistry and an appendix listing the e-mail addresses of more than 2500 people in that discipline. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." —JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." —JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Download or read book Superhalogens and Superalkalis written by Pratim Kumar Chattaraj and published by CRC Press. This book was released on 2024-04-15 with total page 283 pages. Available in PDF, EPUB and Kindle. Book excerpt: Superhalogens and Superalkalis is a comprehensive volume designed as the go-to resource on the exciting and evolving topics of these special classes of atomic clusters and the acid salt that results from their interactions. The book details how these substances possess not only unusual structures but also unique properties which can be exploited for various applications. Superhalogens’ strong oxidizing capacity, resulting from their high-electron affinity, leads to their applications in the design of superacids, organic superconductors, and ionic liquids. The low ionization energy of superalkalis enables them to act as strong reducing agents, making them useful in the design of superbases and alkalides. Illustrated throughout, this timely book provides an overview of the research and development on these and other aspects of superhalogen and superalkalis. Key features: Offers a basic introduction of superatoms that is accessible for readers to understand Includes extensive study questions after each chapter Provides a systematic presentation of the existing literature on this increasingly trending topic Presents the latest developments in the field, offering readers state-of-art knowledge This book is a key reference guide for graduate students, postdocs, upper-level undergraduate students, academic professionals, and researchers who are interested in this fascinating topic.
Download or read book Connecting Literature and Science written by Jay A. Labinger and published by Routledge. This book was released on 2021-11-18 with total page 257 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a case for engagement between the sciences and the humanities. The author, a professional chemist, seeks to demonstrate that the connections between those fields of intellectual activity are far more significant than anything that separates them. The book combines a historical survey of the relationships between science and literature with a number of case studies that examine specific scientific episodes—several drawn from the author’s own research—juxtaposed with a variety of literary works spanning a wide range of period and genre—Dante to detective fiction, War and Peace to White Teeth—to elicit their common themes. The work argues for an empirical, non-theory-based approach, one that is closely analogous to connectionist models of brain development and function, and that can appeal to general readers, as well as to literary scholars and practicing scientists, who are open to the idea that literature and science should not be compartmentalized.
Download or read book Technical Reports Awareness Circular TRAC written by and published by . This book was released on 1988-06 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt:
