Annual Reports in Computational Chemistry
Gebonden Engels 2016 9780444637147Levertijd ongeveer 9 werkdagen
Gratis verzonden
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.
Specificaties
Lezersrecensies
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Inhoudsopgave
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
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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