Annual Reports in Computational Chemistry de David A. Dixon

Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 12

en Limba Engleză Hardback – 23 sep 2016

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered 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

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Specificații

ISBN-13: 9780444637147
ISBN-10: 0444637141
Pagini: 264
Dimensiuni: 152 x 229 x 18 mm
Greutate: 0.48 kg
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry

Public țintă

Researchers and students interested in computational chemistry as well as computational chemists and chemists interested in using computational approaches to address chemical problems

Cuprins

Quantum Chemistry (Section A)
1. Prediction of Thermochemical Properties Across the Periodic Table: A Review of Correlation Consistent Composite Approach (ccCA) Strategies and Applications
Charles Peterson, Deborah A. Penchoff and Angela K. Wilson
2. The Impact of Larger Basis Sets and Explicitly Correlated Coupled Cluster Theory on the Feller–Peterson–Dixon Composite Method
David Feller, Kirk A. Peterson and David A. Dixon
New Theories of Bonding (Section B)
3. Recoupled Pair Bonding: Unifying the Theory of Valence for the Main Group Elements
Thom H. Dunning, Jr., David E. Woon, Lu. T. Xu, Tyler Y. Takeshita, Beth A. Lindquist and Jeff Leiding
Geochemistry (Section C)
4. Computational Isotope Geochemistry
James R. Rustad
Nanoparticles (Section D)
5. Computer Simulation and Modeling Techniques in the Study of Nanoparticle–Membrane Interactions
Zhenpeng Ge and Yi Wang

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