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Mathematical Chemistry
Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry. Major areas of research in mathematical chemistry include chemical graph theory, which deals with topology such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships; and chemical aspects of group theory, which finds applications in stereochemistry and quantum chemistry. Another important area is molecular knot theory and circuit topology that describe the topology of folded linear molecules such as proteins and Nucleic Acids. The history of the approach may be traced back to the 19th century. Georg Helm published a treatise titled "The Principles of M ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mathematics
Mathematics is an area of knowledge that includes the topics of numbers, formulas and related structures, shapes and the spaces in which they are contained, and quantities and their changes. These topics are represented in modern mathematics with the major subdisciplines of number theory, algebra, geometry, and analysis, respectively. There is no general consensus among mathematicians about a common definition for their academic discipline. Most mathematical activity involves the discovery of properties of abstract objects and the use of pure reason to prove them. These objects consist of either abstractions from nature orin modern mathematicsentities that are stipulated to have certain properties, called axioms. A ''proof'' consists of a succession of applications of deductive rules to already established results. These results include previously proved theorems, axioms, andin case of abstraction from naturesome basic properties that are considered true starting points of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Georg Helm
Georg Ferdinand Helm (; 15 March 1851 in Dresden, Saxony – 13 September 1923 in Dresden) was a German mathematician. Helm graduated from high school from the Annenschule in Dresden in 1867. Thereafter he studied mathematics and natural sciences at the Dresden Polytechnical School, and then at the universities of Leipzig and Berlin from 1871 to 1873. Helm first taught at the Annenschule, his high school alma mater. Then he taught mathematics and physics at the Dresden University of Technology and at the Royal Saxon Polytechnic from 1888 until 1922. He was an interdisciplinarian, whose teaching responsibilities included a seminar on insurance statistics. Helm coined the term “mathematical chemistry”. His work in the area of economics postulated that money was the economic equivalent of the lowest form of social entropy Social entropy is a sociological theory that evaluates social behaviours using a method based on the second law of thermodynamics. The equivalent of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Theoretical Chemistry
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation. Overview Theoretical chemistry unites principles and concepts common to all branches of chemistry. Within the framework of theoretical chemistry, there is a systematization of chemical laws, principles and rules, their refinement and detailing, the construction of a hierarchy. The central place in theoretical chemistry is occupied by the doctrine of the interconnection of the structure and properties of molecular systems. It uses mathematical and physical methods to explain the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic and kinetic properties. In the most general sense, it is explanation of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry
Chemistry is the science, scientific study of the properties and behavior of matter. It is a natural science that covers the Chemical element, elements that make up matter to the chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a Chemical reaction, reaction with other Chemical substance, substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both Basic research, basic and Applied science, applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the properties ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mathematical Chemistry
Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry. Major areas of research in mathematical chemistry include chemical graph theory, which deals with topology such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships; and chemical aspects of group theory, which finds applications in stereochemistry and quantum chemistry. Another important area is molecular knot theory and circuit topology that describe the topology of folded linear molecules such as proteins and Nucleic Acids. The history of the approach may be traced back to the 19th century. Georg Helm published a treatise titled "The Principles of M ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Milan Randić
Milan Randić (born 1 October 1930) is a Croatian American scientist who is one of the leading experts in the field of computational chemistry. Birth and education Randić was born in the city of Belgrade, where his parents, originally from Kostrena (Croatian Primorje – Region in the northern Adriatic), lived at the time. Kostrena is well known by its maritime tradition, shipowners and seamen. Randic's ancestors were sailing ship owners as well as ship captains. His parents moved to Zagreb in 1941, where he continued his education. After finishing Gymnasium in Zagreb, he studied Theoretical Physics at the University of Zagreb during 1949–1953 and studied for Ph. D degree at the University of Cambridge, England (1954–1958). Academic career From 1960 to 1970 he was at the Ruđer Bošković Institute in Zagreb, Croatia, where he founded the Theoretical Chemistry Group. During 1971–1980 he was visiting various universities in USA including Johns Hopkins, MIT, Harvard, Tufts, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
International Academy Of Mathematical Chemistry
The International Academy of Mathematical Chemistry (IAMC) was founded in Dubrovnik (Croatia) in 2005 by Milan Randić. It is an organization for chemistry and mathematics avocation, and its predecessors have been around since the 1930s. The Academy Members are 88 (2011) from all over the world (27 countries), comprising six scientists awarded the Nobel Prize. Governing Body of the IAMC * 2005-2007: ** President: Alexandru Balaban ** Vice-President: Milan Randić ** Secretary: Ante Graovac ** Treasurer: Dejan Plavšić * 2008-2011: ** President: Roberto Todeschini ** Vice-President: Tomaž Pisanski ** Secretary: Ante Graovac ** Treasurer: Dražen Vikić-Topić ** Member: Ivan Gutman ** Member: Nikolai Zefirov * since 2011: ** President: Roberto Todeschini ** Vice-President: Edward C. Kirby ** Vice-President: Sandi Klavžar ** Secretary: Ante Graovac ** Treasurer: Dražen Vikić-Topić ** Member: Ivan Gutman ** Member: Nikolai Zefirov IAMC yearly meetin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Topological Index
In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index, also known as a connectivity index, is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. Topological indices are used for example in the development of quantitative structure-activity relationships (QSARs) in which the biological activity or other properties of molecules are correlated with their chemical structure. Calculation Topological descriptors are derived from hydrogen-suppressed molecular graphs, in which the atoms are represented by vertices and the bonds by edges. The connections between the atoms can be described by various types of topological matrices (e.g., distance or adjacency matrices), which can be mathematically manipulated so as to derive a single number, usually known as grap ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Graph
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds. For particular purposes any of the labelings may be ignored. A hydrogen-depleted molecular graph or hydrogen-suppressed molecular graph is the molecular graph with hydrogen vertices deleted. In some important cases (topological index calculation etc.) the following classical definition is sufficient: a molecular graph is a connected, undirected graph which admits a one-to-one correspondence with the structural formula of a chemical compound in which the vertices of the graph correspond to atoms of the molecule and edges of the graph correspond to chemical ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mathematical Model
A mathematical model is a description of a system using mathematical concepts and language. The process of developing a mathematical model is termed mathematical modeling. Mathematical models are used in the natural sciences (such as physics, biology, earth science, chemistry) and engineering disciplines (such as computer science, electrical engineering), as well as in non-physical systems such as the social sciences (such as economics, psychology, sociology, political science). The use of mathematical models to solve problems in business or military operations is a large part of the field of operations research. Mathematical models are also used in music, linguistics, and philosophy (for example, intensively in analytic philosophy). A model may help to explain a system and to study the effects of different components, and to make predictions about behavior. Elements of a mathematical model Mathematical models can take many forms, including dynamical systems, statisti ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ante Graovac
Ante Graovac is a Croatian scientist (born July 15, 1945 in Split, died November 13, 2012 in Zagreb) known for his contribution to chemical graph theory. He was director of 26 successful annual meetings MATH/CHEM/COMP held in Dubrovnik. He was Secretary of the International Academy of Mathematical Chemistry
The International Academy of Mathematical Chemistry (IAMC) was founded in Dubrovnik (Croatia) in 2005 by Milan Randić. It is an organization for chemistry and mathematics avocation, and its predecessors have been around since the 1930s. ...
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Dubrovnik
Dubrovnik (), historically known as Ragusa (; see notes on naming), is a city on the Adriatic Sea in the region of Dalmatia, in the southeastern semi-exclave of Croatia. It is one of the most prominent tourist destinations in the Mediterranean, a seaport and the centre of the Dubrovnik-Neretva County. Its total population is 42,615 (2011 census). In 1979, the city of Dubrovnik was added to the UNESCO list of World Heritage Sites in recognition of its outstanding medieval architecture and fortified old town. The history of the city probably dates back to the 7th century, when the town known as was founded by refugees from Epidaurum (). It was under the protection of the Byzantine Empire and later under the sovereignty of the Republic of Venice. Between the 14th and 19th centuries, Dubrovnik ruled itself as a free state. The prosperity of the city was historically based on maritime trade; as the capital of the maritime Republic of Ragusa, it achieved a high level of develo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
