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Eutectic Solvents
Natural deep eutectic solvents (NADES) are pharmaceutically accepted systems not only because they typically offer a serious enhancement of active pharmaceutical ingredient (API) solubility, but also due to their non-toxicity. This fortunate conjuncture allows for designing new media for escalation and controlled release of APIs. For example, composition optimisation of a series of NADES comprising choline chloride with multi-hydroxyl compounds was successfully performed for a set of sulphonamide-based drugs. These results confirmed that NADES in general, and the ones based on choline chloride and glycerol particularly, are an attractive alternative to traditional solvents for sulphonamide d...
Applied Designs in Chemical Structures with High Symmetry
This Special Issue, "Applied Designs in Chemical Structures with High Symmetry" is open to submissions and welcomes papers dealing with different orders of symmetry intrinsically present in chemical structures. Characterization of these structures helps broaden our understanding of the natural tendency to stabilize matter into chemical compounds, and pushes us to further develop new classes of highly symmetric chemical compounds. The best example is C60 fullerene (Buckminster fullerene), a purely synthetic form of carbon that was recently found to occur both in nature and outer space, and resembles the balls used in football. Applied designs may simply serve as tools for the in silico construction of chemical structures, as well as for the characterization of a structure, classification of a series of structures, and prediction of their properties (inside of an applicability domain with structure–property relationships).bio
Reviews in Computational Chemistry, Volume 27
This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 27 covers brittle fracture, molecular detailed simulations of lipid bilayers, semiclassical bohmian dynamics, dissipative particle dynamics, trajectory-based rare event simulations, and understanding metal/metal electrical contact conductance from the atomic to continuum scales. Also included is a chapter on career opportunities in computational chemistry and an appendix listing the e-mail addresses of more than 2500 people in that discipline. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." —JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." —JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
