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Axel D. Becke
Axel Dieter Becke (born June 10, 1953) is a physical chemist and Professor of Chemistry at Dalhousie University, Canada. He is a leading researcher in the application of density functional theory (DFT) to molecules. Early life Becke was born in Esslingen, Germany. He graduated with a B.Sc. from Queen's University. He completed his M.Sc. and Ph.D. from McMaster University. Academic career From 1981 to 1983, Becke was a NSERC Postdoctoral Fellow at Dalhousie University. He took up his first faculty position at Queen's University in Kingston, Ontario in the 1980s. In 2006, he relocated to Dalhousie University to serve as the Killam Chair in Computational Science. Research Becke contributed in the development of non-LCAO, grid-based numerical methodologies for molecular orbital calculations. He was also contributed in the development and benchmarking of exchange-correlation functionals in Kohn-Sham density-functional theory. He is known for his highly cited work on the den ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Esslingen Am Neckar
Esslingen am Neckar (Swabian German, Swabian: ''Esslenga am Neckor''; until 16 October 1964 officially '' Eßlingen am Neckar'') is a town in the Stuttgart Region of Baden-Württemberg in southern Germany, seat of the Esslingen (district), District of Esslingen as well as the largest town in the district. Within Baden-Württemberg it is the List of cities in Baden-Württemberg by population, 11th largest city. It is located on the river Neckar, about southeast of Stuttgart city center. The regions surrounding the city of Esslingen are also mostly developed. Esslingen was a free imperial city for several centuries until it was annexed by Württemberg in 1802. The German Timber-Frame Road passes through the city. History Prehistoric times There is archaeological evidence that what is now the city of Esslingen was settled since the Neolithic period. Traces of human settlement found at the site of the city church date back to around 1000 B.C. Roman times In the 1st century ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Density Functional Theory
Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals - that is, functions that accept a function as input and output a single real number. In the case of DFT, these are functionals of the spatially dependent electron density. DFT is among the most popular and versatile methods available in condensed-matter physics, computational physics, and computational chemistry. DFT has been very popular for calculations in solid-state physics since the 1970s. However, DFT was not considered accurate enough for calculations in quantum chemistry until the 1990s, when the approximations used in the theory were greatly refined to better m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fellows Of The Royal Society
Fellowship of the Royal Society (FRS, ForMemRS and HonFRS) is an award granted by the Fellows of the Royal Society of London to individuals who have made a "substantial contribution to the improvement of natural science, natural knowledge, including mathematics, engineering science, and medical science". Overview Fellowship of the Society, the oldest known scientific academy in continuous existence, is a significant honour. It has been awarded to :Fellows of the Royal Society, around 8,000 fellows, including eminent scientists Isaac Newton (1672), Benjamin Franklin (1756), Charles Babbage (1816), Michael Faraday (1824), Charles Darwin (1839), Ernest Rutherford (1903), Srinivasa Ramanujan (1918), Jagadish Chandra Bose (1920), Albert Einstein (1921), Paul Dirac (1930), Subrahmanyan Chandrasekhar (1944), Prasanta Chandra Mahalanobis (1945), Dorothy Hodgkin (1947), Alan Turing (1951), Lise Meitner (1955), Satyendra Nath Bose (1958), and Francis Crick (1959). More recently, fellow ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Theoretical Chemists
A theory is a systematic and rational form of abstract thinking about a phenomenon, or the conclusions derived from such thinking. It involves contemplative and logical reasoning, often supported by processes such as observation, experimentation, and research. Theories can be scientific, falling within the realm of empirical and testable knowledge, or they may belong to non-scientific disciplines, such as philosophy, art, or sociology. In some cases, theories may exist independently of any formal discipline. In modern science, the term "theory" refers to scientific theories, a well-confirmed type of explanation of nature, made in a way consistent with the scientific method, and fulfilling the criteria required by modern science. Such theories are described in such a way that scientific tests should be able to provide empirical support for it, or empirical contradiction (" falsify") of it. Scientific theories are the most reliable, rigorous, and comprehensive form of scientif ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Academic Staff Of Dalhousie University
An academy (Attic Greek: Ἀκαδήμεια; Koine Greek Ἀκαδημία) is an institution of tertiary education. The name traces back to Plato's school of philosophy, founded approximately 386 BC at Akademia, a sanctuary of Athena, the goddess of wisdom and skill, north of Athens, Greece. The Royal Spanish Academy defines academy as scientific, literary or artistic society established with public authority and as a teaching establishment, public or private, of a professional, artistic, technical or simply practical nature. Etymology The word comes from the ''Academy'' in ancient Greece, which derives from the Athenian hero, ''Akademos''. Outside the city walls of Athens, the gymnasium was made famous by Plato as a center of learning. The sacred space, dedicated to the goddess of wisdom, Athena, had formerly been an olive grove, hence the expression "the groves of Academe". In these gardens, the philosopher Plato conversed with followers. Plato developed his sessions ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dalhousie University Alumni
Dalhousie ( ) may refer to: Animals * Dalhousie goby, species of fish found in central Australia * Dalhousie hardyhead, species of fish found in central Australia * Dalhousie catfish ('' Neosilurus gloveri''), species of fish found in central Australia Buildings * Dalhousie Castle, a castle near Bonnyrigg, Scotland * Dalhousie Obelisk, a monument in Empress Place, Singapore * Dalhousie Station (Canadian Pacific Railway), a former passenger rail station in Montreal, Quebec * Dalhousie station (Calgary), a LRT station in Calgary, Alberta Institutions * Dalhousie Hilltop School, Dalhousie, India * Dalhousie School, a former prep school in Scotland * Dalhousie University, located in Halifax, Nova Scotia *HMIS (later INS) Dalhousie, the initial name of INS Angre, the naval base at Mumbai, India Ships * ''Dalhousie'', later name of People and clans * Clan Ramsay (Dalhousie), a branch of the main line of Scottish Ramsays * Earl of Dalhousie, a title created in the Peerage of Scotl ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Living People
Purpose: Because living persons may suffer personal harm from inappropriate information, we should watch their articles carefully. By adding an article to this category, it marks them with a notice about sources whenever someone tries to edit them, to remind them of WP:BLP (biographies of living persons) policy that these articles must maintain a neutral point of view, maintain factual accuracy, and be properly sourced. Recent changes to these articles are listed on Special:RecentChangesLinked/Living people. Organization: This category should not be sub-categorized. Entries are generally sorted by family name In many societies, a surname, family name, or last name is the mostly hereditary portion of one's personal name that indicates one's family. It is typically combined with a given name to form the full name of a person, although several give .... Maintenance: Individuals of advanced age (over 90), for whom there has been no new documentation in the last ten ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
1953 Births
Events January * January 6 – The Asian Socialist Conference opens in Rangoon, Burma. * January 12 – Estonian émigrés found a government-in-exile in Oslo. * January 14 ** Marshal Josip Broz Tito is chosen President of Yugoslavia. ** The CIA-sponsored Robertson Panel first meets to discuss the UFO phenomenon. * January 15 ** Georg Dertinger, foreign minister of East Germany, is arrested for spying. ** British security forces in West Germany arrest 7 members of the Naumann Circle, a clandestine Neo-Nazi organization. * January 19 – 71.1% of all television sets in the United States are tuned into '' I Love Lucy'', to watch Lucy give birth to Little Ricky, which is more people than those who tune into Dwight Eisenhower's inauguration the next day. This record is never broken. * January 24 ** Mau Mau Uprising: Rebels in Kenya kill the Ruck family (father, mother, and six-year-old son). ** Leader of East Germany Walter Ulbricht announces that ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Institute Of Canada
The Chemical Institute of Canada is a Canadian professional umbrella organization for researchers and professionals in the field of chemistry. It was founded in 1921 as the Canadian Institute of Chemistry until it merged with other groups in 1945 under its current name. The organization comprises two groups: the Canadian Society for Chemical Engineering (est. 1966) and the Canadian Society for Chemistry (est. 1985). The Canadian Society for Chemical Technology (est. 1973) was formerly a third subsidiary organization, but a structural reorganization of the CIC in 2022 renamed this group as the Technologists & Technicians subject division of the Canadian Society for Chemistry. Its highest award is the Chemical Institute of Canada Medal, awarded annually since 1951. As of 2012, the Chemical Institute of Canada formed an agreement with the Society of Chemical Industry and SCI Canada, whereby SCI Canada became a forum of the CIC. Canadian Chemistry Conference and Exhibition Every y ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fellow Of The Royal Society
Fellowship of the Royal Society (FRS, ForMemRS and HonFRS) is an award granted by the Fellows of the Royal Society of London to individuals who have made a "substantial contribution to the improvement of natural science, natural knowledge, including mathematics, engineering science, and medical science". Overview Fellowship of the Society, the oldest known scientific academy in continuous existence, is a significant honour. It has been awarded to :Fellows of the Royal Society, around 8,000 fellows, including eminent scientists Isaac Newton (1672), Benjamin Franklin (1756), Charles Babbage (1816), Michael Faraday (1824), Charles Darwin (1839), Ernest Rutherford (1903), Srinivasa Ramanujan (1918), Jagadish Chandra Bose (1920), Albert Einstein (1921), Paul Dirac (1930), Subrahmanyan Chandrasekhar (1944), Prasanta Chandra Mahalanobis (1945), Dorothy Hodgkin (1947), Alan Turing (1951), Lise Meitner (1955), Satyendra Nath Bose (1958), and Francis Crick (1959). More recently, fellow ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
World Association Of Theoretical And Computational Chemists
The World Association of Theoretical and Computational Chemists (WATOC) is a scholarly association founded in 1982 "in order to encourage the development and application of theoretical methods" in chemistry, particularly theoretical chemistry and computational chemistry. It was originally called the World Association of Theoretical Organic Chemists, but was later renamed the World Association of Theoretically Oriented Chemists, and in 2005 renamed once more to the World Association of Theoretical and Computational Chemists. Conferences WATOC organizes a triennial world congress with over 1,000 participants in last years. Awards The association awards two yearly medals: the Schrödinger Medal to one "outstanding theoretical and computational chemist", and the Dirac Medal to one "outstanding theoretical and computational chemist under the age of 40". Recipients of the Dirac Medal SourceWATOC * 1998: Timothy J. Lee * 1999: Peter M. W. Gill * 2000: Jiali Gao * 2001: Ma ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron Localization Function
In quantum chemistry, the electron localization function (ELF) is a measure of the likelihood of finding an electron in the neighborhood space of a reference electron located at a given point and with the same Spin (physics), spin. Physically, this measures the extent of spatial localization of the reference electron and provides a method for the mapping of electron pair probability in multielectronic systems. ELF's usefulness stems from the observation that it allows electron localization to be analyzed in a chemically intuitive way. For example, the Electron shell, shell structure of heavy atoms is obvious when plotting ELF against the radial distance from the nucleus; the ELF for radon has six clear Maxima and minima, maxima, whereas the electronic density decreases Monotonic function, monotonically and the radially weighted density fails to show all shells. When applied to molecules, an analysis of the ELF shows a clear separation between the Core electron, core and valence el ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
