Quantum-Mechanical Prediction of Thermochemical Data (Understanding Chemical Reactivity, Volume 22) 在线电子书 pdf 下载 txt下载 epub 下载 mobi 下载 2024


Quantum-Mechanical Prediction of Thermochemical Data (Understanding Chemical Reactivity, Volume 22)

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Cioslowski, Jerzy 编 作者
Springer
译者
1899-12-31 出版日期
272 页数
USD 131.00 价格
Hardcover
丛书系列
9780792370772 图书编码

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Quantum-Mechanical Prediction of Thermochemical Data (Understanding Chemical Reactivity, Volume 22) 在线电子书 epub 下载 mobi 下载 pdf 下载 txt 下载 2024

Quantum-Mechanical Prediction of Thermochemical Data (Understanding Chemical Reactivity, Volume 22) 在线电子书 epub 下载 mobi 下载 pdf 下载 txt 下载 2024

Quantum-Mechanical Prediction of Thermochemical Data (Understanding Chemical Reactivity, Volume 22) 在线电子书 pdf 下载 txt下载 epub 下载 mobi 下载 2024



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Quantum-Mechanical Prediction of Thermochemical Data (Understanding Chemical Reactivity, Volume 22) 在线电子书 图书描述

The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of applicability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semi-empirical methods, these approaches have well-known advantages and shortcomings that determine their usefullness in study of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it dificult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs. In this book, the experts who have developed and tested many of the currently used electronic structure procedures present an authoritative overview of the tools for the computation of thermochemical properties of atoms and molecules.

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