Read Quantum-Mechanical Prediction of Thermochemical Data

Quantum-Mechanical Prediction of Thermochemical Data

Jerzy Cioslowski

4.9/5 (28446 ratings)

Description: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 authoritive overview of the tools for the computation of thermochemical properties of atoms and molecules.We have made it easy for you to find a PDF Ebooks without any digging. And by having access to our ebooks online or by storing it on your computer, you have convenient answers with Quantum-Mechanical Prediction of Thermochemical Data. To get started finding Quantum-Mechanical Prediction of Thermochemical Data, you are right to find our website which has a comprehensive collection of manuals listed.
Our library is the biggest of these that have literally hundreds of thousands of different products represented.

Pages: 269

Format: PDF, EPUB & Kindle Edition

Publisher: Springer

Release: 2001

ISBN: 1280201177

Description: 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 authoritive overview of the tools for the computation of thermochemical properties of atoms and molecules.We have made it easy for you to find a PDF Ebooks without any digging. And by having access to our ebooks online or by storing it on your computer, you have convenient answers with Quantum-Mechanical Prediction of Thermochemical Data. To get started finding Quantum-Mechanical Prediction of Thermochemical Data, you are right to find our website which has a comprehensive collection of manuals listed.
Our library is the biggest of these that have literally hundreds of thousands of different products represented.

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Quantum-Mechanical Prediction of Thermochemical Data

Quantum-Mechanical Prediction of Thermochemical Data

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