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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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mathematics
Mathematics is a field of study that discovers and organizes methods, Mathematical theory, theories and theorems that are developed and Mathematical proof, proved for the needs of empirical sciences and mathematics itself. There are many areas of mathematics, which include number theory (the study of numbers), algebra (the study of formulas and related structures), geometry (the study of shapes and spaces that contain them), Mathematical analysis, analysis (the study of continuous changes), and set theory (presently used as a foundation for all mathematics). Mathematics involves the description and manipulation of mathematical object, abstract objects that consist of either abstraction (mathematics), abstractions from nature orin modern mathematicspurely abstract entities that are stipulated to have certain properties, called axioms. Mathematics uses pure reason to proof (mathematics), prove properties of objects, a ''proof'' consisting of a succession of applications of in ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Georg Helm
Georg Ferdinand Helm (15 March 1851 – 13 September 1923) 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”, and was the first to classify physical and chemical properties as intensive or extensive in 1898. His work in the area of economics Economics () is a behavioral science that studies the Production (economics), production, distribution (economics), distribution, and Consumption (economics ... [...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 o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry
Chemistry is the scientific study of the properties and behavior of matter. It is a physical science within the natural sciences that studies the chemical elements that make up matter and chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during chemical reaction, reactions 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 prop ... [...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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Milan Randić
Milan Randić (born 1 October 1930) is a Croatian American scientist recognized as 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 in the Croatian Primorje, lived at the time. Kostrena is well known for its maritime tradition, with many shipowners and seamen among its residents. Randić's ancestors were shipowners and captains. In 1941, his family moved to Zagreb, where he continued his education. After completing Gymnasium in Zagreb, he studied Theoretical Physics at the University of Zagreb from 1949 to 1953. He then studied for Ph. D degree at the University of Cambridge, England from 1954 to 1958. Academic career From 1960 to 1970, Randić worked at the Ruđer Bošković Institute in Zagreb, Croatia, where he founded the Theoretical Chemistry Group. Between 1971 and 1980, he was a visiting professor at various universities in the United States, inclu ... [...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; its predecessors have been around since the 1930s. There are 88 Academy members () from around 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 * since 2019: ** President ... [...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 ... [...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 an abstract and concrete, abstract description of a concrete system using mathematics, mathematical concepts and language of mathematics, language. The process of developing a mathematical model is termed ''mathematical modeling''. Mathematical models are used in applied mathematics and 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). It can also be taught as a subject in its own right. 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, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ante Graovac
Ante Graovac (15 July 1945 in Split – 13 November 2012 in Zagreb) was a Croatian scientist 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; its predecessors have been around since the 1930s. There are 8 ...
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Dubrovnik
Dubrovnik, historically known as Ragusa, is a city in southern Dalmatia, Croatia, by the Adriatic Sea. It is one of the most prominent tourist destinations in the Mediterranean Sea, Mediterranean, a Port, seaport and the centre of the Dubrovnik-Neretva County. In 2021, its total population was 41,562. Recognizing its outstanding medieval architecture and fortifications, UNESCO inscribed the Old City of Dubrovnik as a World Heritage Site in 1979. 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 protectorate 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 (polity), free state. The prosperity of the city was historically based on trade, maritime trade; as the capital of the maritime Republic of Ragusa, it achieved a high level of development, particularly during the 15th and 16t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
