Quantum-Mechanical Prediction of Thermochemical Data (Paperback, 2001 ed.)

For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. 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 app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs.

General

Imprint:	Springer-Verlag New York
Country of origin:	United States
Series:	Understanding Chemical Reactivity, 22
Release date:	2002
First published:	2001
Editors:	Jerzy Cioslowski
Dimensions:	234 x 156 x 14mm (L x W x T)
Format:	Paperback
Pages:	256
Edition:	2001 ed.
ISBN-13:	978-1-4020-0424-7
Categories:	Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry Books > Science & Mathematics > Chemistry > Physical chemistry > Thermochemistry & chemical thermodynamics Promotions
LSN:	1-4020-0424-9
Barcode:	9781402004247

Is the information for this product incomplete, wrong or inappropriate? Let us know about it.

Does this product have an incorrect or missing image? Send us a new image.

Is this product missing categories? Add more categories.

Review This Product

No reviews yet - be the first to create one!