Search Results - "computational chemistry"

Computational Nanotoxicology : Challenges and Perspectives /

Taylor & Francis
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Roald Hoffmann on the philosophy, art, and science of chemistry by Hoffmann, Roald

Table of Contents: “…Qualitative Thinking in the Age of Modern Computational Chemistry, or What Lionel Salem Knows, by Roald Hoffmann -- 8. …”
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Aqueous Phase Adsorption : Theory, Simulations, and Experiments /

Table of Contents: “…1.4.8 Boundary Conditions1.5 Experimental Techniques; 1.5.1 Equilibrium Adsorption Loading from Flow Study; References; Chapter 2: Graphene Nanopores-Based Separation of Impurities from Aqueous Medium; 2.1 Introduction; 2.2 Separation of Metal Ions from Aqueous Solution; 2.2.1 Graphene-Based Membranes; 2.2.2 Graphene Oxide; 2.3 Separation of Organic Compounds; 2.4 Potential of Mean Force (PMF); 2.5 Summary; Acknowledgments; References; Chapter 3: Computational Chemistry Assisted Simulation for Metal Ion Separation in the Aqueous-Organic Biphasic Systems; 3.1 Introduction.…”
Taylor & Francis
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