Description
Annual Reports in Computational Chemistry
Coordinator: Dixon David A.
Language: EnglishSubjects for Annual Reports in Computational Chemistry:
Keywords
Ab initio molecular dynamics; Actinides; Coupled-cluster methods; CPMD; Density fitting; Electron correlation effects; Electronic properties; Electronic structure methods; Exascale computing; First-principles molecular dynamics; Gaussian basis sets; Ionic liquids; Lanthanides; Multireference coupled-cluster methods; Nonorthogonal configuration interaction; Polarization; Relativistic effects; Single-reference coupled-cluster formulations
134 p. · 15x22.8 cm · Hardback
Description
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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.
Contributions from:
Steven Wheeler
Karol Kowalski
So Hirata
Jindal K. Shah
Kirk Peterson
T. P. Straatsma
- 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