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Recent Advances In Density Functional Methods, Part Ii
Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the computational methodology of DFT.This Part II expands on the methodology and applications of DFT. Some of the chapters report on the latest developments (since the publication of Part I in 1995), while others extend the applications to wider range of molecules and their environments. Together, this and other recent review volumes on DFT show that DFT provides an efficient and accurate alternative to traditional quantum chemical methods. Such demonstration should hopefully stimulate frutiful developments in formal theory, better exchange-correlation functionals, and linear scaling methodology.
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Germans to America
Title of the first 10 volumes of the series is Germans to America : lists of passengers arriving at U.S. ports 1850-1855.
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Coffee
Coffee is one of the most popular drinks in the world but how does the production influence chemistry and quality? This book covers coffee production, quality and chemistry from the plant to the cup. Written by an international collection of contributors in the field who concentrate on coffee research, it is edited expertly to ensure quality of content, consistency and organization across the chapters. Aimed at advanced undergraduates, postgraduates and researchers and accompanied by a sister volume covering how health is influenced by the consumption of coffee, these titles provide an impactful and accessible guide to the current research in the field.
Plant Invasions
There are many books on aspects of plant invasions, but none that focus on the key role of species interactions in mediating invasions. This book reviews exciting new findings and explores how new methods and tools are shedding new light on crucial processes in plant invasions. This book will be of interest to academics and students of ecology, researchers engaged in developing management solutions, scientific managers of natural ecosystems, and policy-makers.
Unity and Catholicity in Christ
"Debates concerning the relationship between Tridentine Catholicism and Catholicism after Vatican II dominate theological conversation today, particularly with regard to understandings of the Church and its engagement with the world. Current historical narratives paint ecclesiology after the Council of Trent as dominated by juridical concerns, uniformity, and institutionalism. Purportedly neglected are the spiritual, diverse, and missional aspects of the Church. This book challenges such narratives by investigating the Spanish Jesuit Francisco Suâarez's theology of ecclesial unity and catholicity. Analyzing standard as well as overlooked sources of Suâarez's ecclesiology, the author shows ...
Capital Intelectual
El término "capital intelectual" se confunde con frecuencia - e incluso indistintamente- con "propiedad intelectual", "tecnología" o "ideas". "innovación" de carácter científico. Además de las ideas e invenciones de naturaleza tecnológica o científica, el capital intelectual incluye un enorme acervo de ideas y componentes socioculturales, expresadas en las marcas comerciales, las experiencias del cliente, los modelos de negocio y organización e inclusive las cadenas de valor y ecosistemas que las producen. Este libro ha sido diseñado como un manual comprensivo y de aplicación práctica para empresarios y gerentes de diversas áreas funcionales que deseen detectar, desarrollar y ap...
Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science
The thesis provides the necessary experimental and analytical tools to unambiguously observe the atomically resolved chemical reactions. A great challenge of modern science has been to directly observe atomic motions during structural transitions, and while this was first achieved through a major advance in electron source brightness, the information content was still limited and new methods for image reconstruction using femtosecond electron diffraction methods were needed. One particular challenge lay in reconciling the innumerable possible nuclear configurations with the observation of chemical reaction mechanisms that reproducibly give the same kind of chemistry for large classes of mole...
