Annual Reports in Computational Chemistry
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Gebonden, blz.
|
Engels
Elsevier Science |
e druk, 2016
ISBN13: 9780444637147
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Annual Reports in Computational Chemistry
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Samenvatting
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.
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<p>Quantum Chemistry (Section A)<br>1. Prediction of Thermochemical Properties Across the Periodic Table: A Review of Correlation Consistent Composite Approach (ccCA) Strategies and Applications<br>Charles Peterson, Deborah A. Penchoff and Angela K. Wilson<br>2. The Impact of Larger Basis Sets and Explicitly Correlated Coupled Cluster Theory on the Feller–Peterson–Dixon Composite Method<br>David Feller, Kirk A. Peterson and David A. Dixon</p> <p>New Theories of Bonding (Section B)<br>3. Recoupled Pair Bonding: Unifying the Theory of Valence for the Main Group Elements<br>Thom H. Dunning, Jr., David E. Woon, Lu. T. Xu, Tyler Y. Takeshita, Beth A. Lindquist and Jeff Leiding</p> <p>Geochemistry (Section C)<br>4. Computational Isotope Geochemistry<br>James R. Rustad</p> <p>Nanoparticles (Section D)<br>5. Computer Simulation and Modeling Techniques in the Study of Nanoparticle–Membrane Interactions<br>Zhenpeng Ge and Yi Wang</p>
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