Annual Reports in Computational Chemistry
Autor: | David A. Dixon |
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EAN: | 9780444641458 |
eBook Format: | ePUB/PDF |
Sprache: | Englisch |
Produktart: | eBook |
Veröffentlichungsdatum: | 04.10.2018 |
Kategorie: | |
Schlagworte: | Ab initio molecular dynamics Actinides CPMD Coupled-cluster methods Density fitting Electron correlation effects Electronic properties Electronic structure methods Exascale computing First-principles molecular dynamics Gaussian basis sets |
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Annual Reports in Computational Chemistry, Volume 14, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. - Includes timely discussions on quantum chemistry and molecular mechanics - Covers force fields, chemical education, and more - Presents the latest in chemical education and applications in both academic and industrial settings