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Challenges and Advances in Computational Chemistry and Physics

Computational Modelling of Molecular Nanomagnets

Challenges and Advances in Computational Chemistry and Physics -Band 34

This book summarizes the state-of-the-art advances in the area of computational modelling of molecule-based magnets. Nowadays, various computational tools based on DFT, ab initio methods and other techniq…

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EUR 219,03*

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Emerging Materials and Environment

Challenges and Advances in Computational Chemistry and Physics -Band 37

This contributed volume presents chapters integrating experimental and computational advances in materials research and discusses how the potential release of emerging materials would impact the environme…

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EUR 186,19*

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Machine Learning in Molecular Sciences

Challenges and Advances in Computational Chemistry and Physics -Band 36

Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. Thi…

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EUR 197,13*

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QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

Challenges and Advances in Computational Chemistry and Physics -Band 33

This contributed volume overviews recently presented approaches for carrying out QSPR/QSAR analysis by using a simplifying molecular input-line entry system (SMILES) to represent the molecular structure. …

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EUR 186,19*

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