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About this product
- PublisherSpringer International Publishing AG
- Date of Publication07/05/2014
- Series TitleTopics in Current Chemistry
- Series Part/Volume Number345
- Place of PublicationCham
- Country of PublicationSwitzerland
- ImprintSpringer International Publishing AG
- Content Note69 Illustrations, color; 40 Illustrations, black and white; VIII, 294 p. 109 illus., 69 illus. in color.
- Weight753 g
- Width155 mm
- Height235 mm
- Edited byAlan Aspuru-Guzik,Sule Atahan-Evrenk
- Edition Statement2014 ed.
- Table Of ContentsDispersion corrected Hartree-Fock and Density Functional Theory for Organic Crystal Structure Prediction.- General computational algorithms for ab initio crystal structure prediction for organic molecules.- Accurate and robust molecular crystal predictions using fragment-based electronic structure methods.- Prediction and theoretical characterization of organic semiconductor crystals for field-effect transistor applications.- Data mining approaches to high-throughput crystal structure and compound prediction.- Structure and stability prediction of compounds with evolutionary algorithms.- Crystal structure prediction and its application in Earth and Materials Sciences.- Large-Scale Generation and Screening of Hypothetical Metal-Organic Frameworks for Applications in Gas Storage and Separation.
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