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Practical Aspects of Computational Chemistry II
Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the...
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| Định dạng: | Printed Book |
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| Truy cập trực tuyến: | http://www.columbia.edu/cgi-bin/cul/resolve?clio10045241 |
Mục lục:
- On two recent developments in the description of molecular properties in solution by using the Polarizable Continuum Model (PCM): the coupled-cluster theory, and the molecules at extreme pressures
- The distribution of internal distances for ionic pairs in solvents of various polarity
- Digraph in Chemistry: All Possible Structures and Temperature-dependent Distribution of Water Cluster
- "Generalized-Ensemble Algorithms for Simulations of Complex Molecular Systems"
- "Generalized-Ensemble Algorithms for Simulations of Complex Molecular Systems"
- Modelling of Chemical Reactivity of Carbon Nanotubes: A Review
- Advancing Understanding and Design of Functional Materials through Theoretical and Computational Chemical Physics
- New Advances in QSPR/QSAR Analysis of Nitrocompounds: Solubility, Lipophilicity and Toxicity
- Progress in Predictions of Environmentally Important Physico-Chemical Properties of Energetic Materials: Applications of Quantum-Chemical Calculations
- State-of-the-art calculations of the 3d transition-metal dimers: Mn2 and Sc2
- Theoretical Study of -Bond Activation Reactions and Catalytic Reactions by Transition Metal Complexes
- Application of Quantum-Chemical Techniques to Model Environmental Mercury Depletion Reactions
- Computational Perspectives on Organolithium Carbenoids
- Potential Path of DNA Damage: Electron Attachment Induced DNA Single Strand Breaks.