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Nobel Universal Graphical Language
Nobel is a pictographic language based on some 120 basic signs and many arrows of different shape that are mutually combined. It is named after Alfred Nobel (18331896), Swedish chemist and industrialist, inventor of dynamite, who left most of his fortune to a foundation that annually gives awards to individuals whose work is characterized as greatest benefit to mankind, known as Nobel Prizes. Besides the awards for sciences and literature significantly, Alfred Nobel included, among others, a prize for peace (that besides individuals, also organizations may obtain). Although it would be utopian to believe that human conflicts could be avoided if communication tools would improve, the emergenc...
Nobel Graphical Language
Nobel is a pictographic language based on some 120 basic signs and many arrows of different shape that are mutually combined. It is named after Alfred Nobel (1833-1896), Swedish chemist and industrialist, inventor of dynamite, who left most of his fortune to a foundation that annually gives awards to individuals whose work is characterized as "greatest benefit to mankind," known as Nobel Prizes. Besides the awards for sciences and literature significantly, Alfred Nobel included, among others, a prize for peace (that besides individuals, also organizations may obtain). Although it would be utopian to believe that human conflicts could be avoided if communication tools would improve, the emerg...
Discrete Mathematics Applied to QSAR and Beyond
Theoretical chemistry has been dominated by quantum chemistry to such an extent that the potential of discrete mathematics has focused on combinatorial and topological properties of discrete objects. This book summarizes results related to chemical structures that go beyond molecular stability and energetics, addressing such topics as molecular similarity, QSAR, QSPR characterization of DNA and proteins, as well as DNA and protein alignment. Broad in scope, including bioinformatics topics and proteomics maps, it presents an outline of molecular descriptors that considers aromaticity of benzenoid and non-benzenoid compounds, properties of conjugated polymers, and stabilities of fullerenes.
Solved and Unsolved Problems of Structural Chemistry
Solved and Unsolved Problems of Structural Chemistry introduces new methods and approaches for solving problems related to molecular structure. It includes numerous subjects such as aromaticity—one of the central themes of chemistry—and topics from bioinformatics such as graphical and numerical characterization of DNA, proteins, and proteomes. It also outlines the construction of novel tools using techniques from discrete mathematics, particularly graph theory, which allowed problems to be solved that many had considered unsolvable. The book discusses a number of important problems in chemistry that have not been fully understood or fully appreciated, such as the notion of aromaticity an...
Symmetry in Graph Theory
This book contains the successful invited submissions to a Special Issue of Symmetry on the subject of “Graph Theory”. Although symmetry has always played an important role in Graph Theory, in recent years, this role has increased significantly in several branches of this field, including but not limited to Gromov hyperbolic graphs, the metric dimension of graphs, domination theory, and topological indices. This Special Issue includes contributions addressing new results on these topics, both from a theoretical and an applied point of view.
Topology in Chemistry
This volume addresses a number of topological themes of direct relevance to chemists. Topological concepts are now regularly applied in wide areas of chemistry including molecular engineering and design, chemical toxicology, the study of molecular shape, crystal and surface structures, chemical bonding, macromolecular species such as polymers and DNA, and environmental chemistry. Currently, the design and synthesis of new drugs and agrochemicals are of especial importance. The book's prime focus is on the role played by topological indices in the description and characterisation of molecular species. The Wiener index along with a variety of other major topological indices, are discussed with...
ETO Multicenter Molecular Integrals
The First International Conference on ETO Multicenter Molecular Integrals was held August 3-6, 1981, on the Florida A&M university campus in Tallahassee, Florida, USA. Thirty four scientists from eight countries assembled in Tallahassee under the sponsorship of the Institute for Molecular Computations and the Physics Department at Florida A&M. Financial support is gratefully acknowledged from the National Science Foundation, U.S. Army Research Office (Durham), Office of Naval Research, the National Aeronautics and Space Admini stration (NASA), and Florida A&M University. In particular, the editors would like to thank Dr. Joe Majowicz and Dr. David Squire of the U.S. Army, and Dr. Aaron Temki...
Proceedings of the International Conference on Computing, Mathematics and Statistics (iCMS 2015)
This proceedings volume consists of refereed papers presented at the Second International Conference on Computing, Mathematics and Statistics (iCMS 2015) held in Langkawi, Malaysia in November 2015. Divided into three sections - Computer Science, Mathematics and Statistics - the book includes both quantitative and qualitative research that confronts current societal issues. Within the main sections, the book also covers education based research works and the applications of computer and mathematical sciences in social science, business, industries and the life and hard sciences. Drawing on the theme Bridging Research Endeavor on Computing, Mathematics and Statistics, each of the conference papers are carefully selected and edited to cater to readers from diverse applied and social sciences backgrounds. The book allows for the contemplation and reflection on the possibility of the knowledge growth and knowledge sharing in building a better world for future generations.
Handbook of Molecular Descriptors
Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins o...
