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Entropies of Condensed Phases and Complex Systems
Christian Spickermann
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Description for Entropies of Condensed Phases and Complex Systems
Hardback. This thesis presents a compact and coherent introduction of basic theoretical features, which provides a foundation for the development of approaches for calculation of condensed phase entropies on the basis of well-established quantum chemical methods. Series: Springer Theses. Num Pages: 241 pages, biography. BIC Classification: PHH; PHS; PNRP. Category: (P) Professional & Vocational. Dimension: 235 x 155 x 18. Weight in Grams: 576.
Predicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still, even today, a nontrivial task. Nonetheless, accurate treatment of inter-particle interactions, in terms of quantum chemical first principles methods, is a prerequisite for many applications, because of the complexity of both reactants and solvents in modern molecular sciences. Currently, a straightforward calculation of thermodynamic properties from these methods is only possible for high-temperature and low- density systems. Although the enthalpy of a system can often be predicted to a good level of precision with this ideal gas approach, calculating the entropy contribution to the free ... Read more
Predicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still, even today, a nontrivial task. Nonetheless, accurate treatment of inter-particle interactions, in terms of quantum chemical first principles methods, is a prerequisite for many applications, because of the complexity of both reactants and solvents in modern molecular sciences. Currently, a straightforward calculation of thermodynamic properties from these methods is only possible for high-temperature and low- density systems. Although the enthalpy of a system can often be predicted to a good level of precision with this ideal gas approach, calculating the entropy contribution to the free ... Read more
Product Details
Format
Hardback
Publication date
2011
Publisher
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Germany
Number of pages
241
Condition
New
Series
Springer Theses
Number of Pages
225
Place of Publication
Berlin, Germany
ISBN
9783642157356
SKU
V9783642157356
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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