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Journal Of Computational Chemistry
The ''Journal of Computational Chemistry'' is a peer-reviewed scientific journal published since 1980 by John Wiley & Sons. It covers research, contemporary developments in theory and methodology, and applications in all areas of computational chemistry, including ab initio quantum chemistry methods and semiempirical methods, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics. According to the ''Journal Citation Reports'', the journal has a 2020 impact factor The impact factor (IF) or journal impact factor (JIF) of an academic journal is a scientometric index calculated by Clarivate that reflects the yearly mean number of citations of articles published in the last two years in a given journal, as ... of 3.376, ranking it 80th out of 179 journals in the category "Chemistry, Multidisciplinary". References External links * {{Official website ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Charles L
Charles is a masculine given name predominantly found in English and French speaking countries. It is from the French form ''Charles'' of the Proto-Germanic name (in runic alphabet) or ''*karilaz'' (in Latin alphabet), whose meaning was "free man". The Old English descendant of this word was '' Ċearl'' or ''Ċeorl'', as the name of King Cearl of Mercia, that disappeared after the Norman conquest of England. The name was notably borne by Charlemagne (Charles the Great), and was at the time Latinized as ''Karolus'' (as in ''Vita Karoli Magni''), later also as '' Carolus''. Some Germanic languages, for example Dutch and German, have retained the word in two separate senses. In the particular case of Dutch, ''Karel'' refers to the given name, whereas the noun ''kerel'' means "a bloke, fellow, man". Etymology The name's etymology is a Common Germanic noun ''*karilaz'' meaning "free man", which survives in English as churl (< Old English ''ċeorl''), which developed its depr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Statistical Mechanics
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. It does not assume or postulate any natural laws, but explains the macroscopic behavior of nature from the behavior of such ensembles. Statistical mechanics arose out of the development of classical thermodynamics, a field for which it was successful in explaining macroscopic physical properties—such as temperature, pressure, and heat capacity—in terms of microscopic parameters that fluctuate about average values and are characterized by probability distributions. This established the fields of statistical thermodynamics and statistical physics. The founding of the field of statistical mechanics is generally credited to three physicists: *Ludwig Boltzmann, who developed the fundamental interpretation of entropy in terms of a collection of microstates *James Clerk Maxwell, who developed models of probability ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wiley (publisher) Academic Journals
Wiley may refer to: Locations * Wiley, Colorado, a U.S. town * Wiley, Pleasants County, West Virginia, U.S. * Wiley-Kaserne, a district of the city of Neu-Ulm, Germany People * Wiley (musician), British grime MC, rapper, and producer * Wiley Miller, pen name of American newspaper cartoonist David Wiley Miller As a given name * Wiley Brooks (1936–2016), founder of the Breatharian Institute of America * Wiley Young Daniel, American judge * Wiley Nickel, American politician * Wiley Post (1898–1935), American aviator, the first person to fly solo around the world * Wiley Rutledge (1894–1949), American jurist, Supreme Court justice * Wiley Scribner (1840–1889), American politician * Wiley Wiggins, American game designer and actor As a surname * Alan Wiley, British football referee * Alexander Wiley, U.S. Senator * Austin Wiley, American basketball player * Autrey Nell Wiley, American literary critic * Cliff Wiley, American track and field athlete * Charles Wiley, Amer ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Publications Established In 1980
To publish is to make content available to the general public.Berne Convention, article 3(3) URL last accessed 2010-05-10.Universal Copyright Convention, Geneva text (1952), article VI . URL last accessed 2010-05-10. While specific use of the term may vary among countries, it is usually applied to text, images, or other content, including paper ( |
Chemistry Journals
This is a list of scientific journals in chemistry and its various subfields. For journals mainly about materials science, see List of materials science journals. A B * '' Beilstein Journal of Organic Chemistry'' * '' Biochemical Journal'' * '' Bioconjugate Chemistry'' * '' Biomacromolecules'' * '' Biomedical Chromatography'' * '' Bioorganic & Medicinal Chemistry'' * '' Bioorganic & Medicinal Chemistry Letters'' * ''Bulletin of the Chemical Society of Japan'' C D * ''Dalton Transactions'' E * '' Education in Chemistry'' * '' Energy and Environmental Science'' * '' Energy & Fuels'' * '' Environmental Chemistry'' * ''European Journal of Inorganic Chemistry'' * '' European Journal of Medicinal Chemistry'' * ''European Journal of Organic Chemistry'' F * ''Faraday Discussions'' * '' Faraday Transactions'' G * ''Geostandards and Geoanalytical Research'' * ''Green Chemistry'' H * '' Helvetica Chimica Acta'' I * ''Inorganic Chemistry'' * '' International Journal of Hydrogen En ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Impact Factor
The impact factor (IF) or journal impact factor (JIF) of an academic journal is a scientometric index calculated by Clarivate that reflects the yearly mean number of citations of articles published in the last two years in a given journal, as indexed by Clarivate's Web of Science. As a journal-level metric, it is frequently used as a proxy for the relative importance of a journal within its field; journals with higher impact factor values are given the status of being more important, or carry more prestige in their respective fields, than those with lower values. While frequently used by universities and funding bodies to decide on promotion and research proposals, it has come under attack for distorting good scientific practices. History The impact factor was devised by Eugene Garfield, the founder of the Institute for Scientific Information (ISI) in Philadelphia. Impact factors began to be calculated yearly starting from 1975 for journals listed in the ''Journal Citatio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Journal Citation Reports
''Journal Citation Reports'' (''JCR'') is an annual publicationby Clarivate Analytics (previously the intellectual property of Thomson Reuters). It has been integrated with the Web of Science and is accessed from the Web of Science-Core Collections. It provides information about academic journals in the natural sciences and social sciences Social science is one of the branches of science, devoted to the study of society, societies and the Social relation, relationships among individuals within those societies. The term was formerly used to refer to the field of sociology, the o ..., including impact factors. The ''JCR'' was originally published as a part of '' Science Citation Index''. Currently, the ''JCR'', as a distinct service, is based on citations compiled from the '' Science Citation Index Expanded'' and the '' Social Sciences Citation Index''.- - - Basic journal information The information given for each journal includes: * the basic bibliographic information ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bioinformatics
Bioinformatics () is an interdisciplinary field that develops methods and software tools for understanding biological data, in particular when the data sets are large and complex. As an interdisciplinary field of science, bioinformatics combines biology, chemistry, physics, computer science, information engineering, mathematics and statistics to analyze and interpret the biological data. Bioinformatics has been used for '' in silico'' analyses of biological queries using computational and statistical techniques. Bioinformatics includes biological studies that use computer programming as part of their methodology, as well as specific analysis "pipelines" that are repeatedly used, particularly in the field of genomics. Common uses of bioinformatics include the identification of candidates genes and single nucleotide polymorphisms ( SNPs). Often, such identification is made with the aim to better understand the genetic basis of disease, unique adaptations, desirable propertie ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Protein Folding
Protein folding is the physical process by which a protein chain is translated to its native three-dimensional structure, typically a "folded" conformation by which the protein becomes biologically functional. Via an expeditious and reproducible process, a polypeptide folds into its characteristic three-dimensional structure from a random coil. Each protein exists first as an unfolded polypeptide or random coil after being translated from a sequence of mRNA to a linear chain of amino acids. At this stage the polypeptide lacks any stable (long-lasting) three-dimensional structure (the left hand side of the first figure). As the polypeptide chain is being synthesized by a ribosome, the linear chain begins to fold into its three-dimensional structure. Folding of many proteins begins even during translation of the polypeptide chain. Amino acids interact with each other to produce a well-defined three-dimensional structure, the folded protein (the right hand side of the figure ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cheminformatics
Cheminformatics (also known as chemoinformatics) refers to use of physical chemistry theory with computer and information science techniques—so called "''in silico''" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such ''in silico'' techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical research and de ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The method is applied mostly in chemical physics, materials science, and biophysics. Because molecular systems typically consist of a vast number of particles, it is impossible to determine the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative err ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry
Chemistry is the scientific study of the properties and behavior of matter. It is a natural science that covers the elements that make up matter to the compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other 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 and 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 of the soil on the moon ( cosmochemistry), how medications work (pharmacology), and how to collect DNA ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
