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- Volume 4, Issue 2, 2014
Current Physical Chemistry - Volume 4, Issue 2, 2014
Volume 4, Issue 2, 2014
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Prediction of Ionic Liquids Properties through Molecular Dynamics Simulations
Authors: Marta L.S. Batista, Joao A.P. Coutinho and Jose R.B. GomesIonic liquids (ILs) are a new generation of molten salts possessing unique physical and chemical properties, which have gained attention from the academic and industries researchers. The design of new products and processes requires the knowledge of transport and thermophysical properties, yet, due to the large number of potential ILs, their characterization by experimental means alone is not feasible. Computer si Read More
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The Recent Patents and Highlights of Functionally Engineered Nanoparticles for Potential Applications in Biology, Medicine, and Nanomedicine
Authors: Nguyen Viet Long, Cao Minh Thi and Masayuki NogamiIn this review, we have investigated study results of recent patents, achievements, and applications of engineered nanoparticles and nanomaterials in nanomedicine. It includes aspects of practical applications of bioconjugated and engineered nanoparticles in medicine and biology for our better life. The methods of innovative drug delivery, diagnosis, treatment, and therapy of diseases are highlighted in novel applications of nano Read More
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Theoretical Prediction of Thermal Pressure for Geophysical Minerals
Authors: Anjani K. Pandey and Harendra K. RaiThermo elastic properties of materials at high temperature are directly related to the thermal pressure and volume of expansion of the materials. In the present work we have made a comparative study of temperature dependence of thermal pressure for geophysical minerals viz. MgO, Al2O3, Grossular Garnet, Olivine and Pyrope rich Garnet by using Suzuki formulation and Maxwell’s formulation. It is observed that ΔPTh calcula Read More
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Protein Interactions, Hydration and Solvation Structure in Osmolyte Solutions: Lysozyme in Free Amino Acids Solutions
Authors: Abdoul Rahim and K. J. JalkanenThe influence and effects that the amino acids L-alanine, glycine and L-proline have on the structure, stability and hydration of lysozyme were analyzed using molecular dynamics (MD) with the CHARMM force field as implemented in the NAMD simulation package. The solution properties of lysozyme in the amino acid-water-protein solutions at room temperature and atmospheric pressure for six concentrations were compar Read More
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Olefin Metathesis over Mo–exchanged Zeolites: A Computational Review
More LessRecently, Sautet et al. (Chem. Rev., 2010, 110, 1788-1806) has given a comprehensive discussion on the surface organometallic species. In this review, a state–of–art understanding will be presented for catalysis of olefin metathesis within zeolites, where the active sites are generally distributed in the nanoscale channels instead of surfaces. It covers the generation of the Mo–carbene active sites from the various olefin Read More
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