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Michael Bühl
Michael Bühl is a professor of Computational and Theoretical Chemistry in the School of Chemistry, University of St. Andrews. He has published work on the performance of various density functionals, modelling thermal and medium effects, transition-metal NMR of metalloenzymes, modelling of homogeneous catalysis, and molecular dynamics of transition metal complexes. Biography Bühl was born in 1962. He earned his PhD at the University of Erlangen-Nuremberg's Institute for Organic Chemistry (Institut für organische Chemie), where his thesis advisor was Paul von Ragué Schleyer. In 1992, he worked as a post-doctoral researcher with Henry F. Schaefer III (University of Georgia). He was an Oberassistent at the Institute of Organic Chemistry, University of Zürich between 1993 and 1999. In 1999, he also worked at Max-Planck-Institut für Kohlenforschung, Mülheim. He was on the faculty at the University of Zürich from 1998 to 2000 and then at University of Wuppertal from 2000 to 2 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
University Of Erlangen-Nuremberg
A university () is an institution of higher (or tertiary) education and research which awards academic degrees in several academic disciplines. ''University'' is derived from the Latin phrase ''universitas magistrorum et scholarium'', which roughly means "community of teachers and scholars". Universities typically offer both undergraduate and postgraduate programs. The first universities in Europe were established by Catholic Church monks. The University of Bologna (), Italy, which was founded in 1088, is the first university in the sense of: *being a high degree-awarding institute. *using the word ''universitas'' (which was coined at its foundation). *having independence from the ecclesiastic schools and issuing secular as well as non-secular degrees (with teaching conducted by both clergy and non-clergy): grammar, rhetoric, logic, theology, canon law, notarial law.Hunt Janin: "The university in medieval life, 1179–1499", McFarland, 2008, , p. 55f.de Ridder-Symoens, Hild ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Henry F
Henry may refer to: People * Henry (given name) * Henry (surname) * Henry Lau, Canadian singer and musician who performs under the mononym Henry Royalty * Portuguese royalty ** King-Cardinal Henry, King of Portugal ** Henry, Count of Portugal, Henry of Burgundy, Count of Portugal (father of Portugal's first king) ** Prince Henry the Navigator, Infante of Portugal ** Infante Henrique, Duke of Coimbra (born 1949), the sixth in line to Portuguese throne * King of Germany **Henry the Fowler (876–936), first king of Germany * King of Scots (in name, at least) ** Henry Stuart, Lord Darnley (1545/6–1567), consort of Mary, queen of Scots ** Henry Benedict Stuart, the 'Cardinal Duke of York', brother of Bonnie Prince Charlie, who was hailed by Jacobites as Henry IX * Four kings of Castile: ** Henry I of Castile ** Henry II of Castile ** Henry III of Castile ** Henry IV of Castile * Five kings of France, spelt ''Henri'' in Modern French since the Renaissance to italianize the na ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Living People
Related categories * :Year of birth missing (living people) / :Year of birth unknown * :Date of birth missing (living people) / :Date of birth unknown * :Place of birth missing (living people) / :Place of birth unknown * :Year of death missing / :Year of death unknown * :Date of death missing / :Date of death unknown * :Place of death missing / :Place of death unknown * :Missing middle or first names See also * :Dead people * :Template:L, which generates this category or death years, and birth year and sort keys. : {{DEFAULTSORT:Living people 21st-century people People by status ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Academics Of The University Of St Andrews
An academy ( Attic Greek: Ἀκαδήμεια; Koine Greek Ἀκαδημία) is an institution of secondary or tertiary higher learning (and generally also research or honorary membership). The name traces back to Plato's school of philosophy, founded approximately 385 BC at Akademia, a sanctuary of Athena, the goddess of wisdom and skill, north of Athens, Greece. 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 into a method of teaching philosophy and in 387 BC, established what is known today as the Old Academy. By extension, ''academia'' has come to mean the accumulation, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Scottish Chemists
Scottish usually refers to something of, from, or related to Scotland, including: * Scottish Gaelic, a Celtic Goidelic language of the Indo-European language family native to Scotland * Scottish English *Scottish national identity, the Scottish identity and common culture * Scottish people, a nation and ethnic group native to Scotland * Scots language, a West Germanic language spoken in lowland Scotland *Symphony No. 3 (Mendelssohn), a symphony by Felix Mendelssohn known as ''the Scottish'' See also *Scotch (other) *Scotland (other) *Scots (other) *Scottian (other) *Schottische The schottische is a partnered country dance that apparently originated in Bohemia. It was popular in Victorian era ballrooms as a part of the Bohemian folk-dance craze and left its traces in folk music of countries such as Argentina ("chotis"Span ... * {{disambiguation Language and nationality disambiguation pages ca:Escocès ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
QM/MM
The hybrid QM/MM (quantum mechanics/molecular mechanics) approach is a molecular simulation method that combines the strengths of ''ab initio'' QM calculations (accuracy) and MM (speed) approaches, thus allowing for the study of chemical processes in solution and in proteins. The QM/MM approach was introduced in the 1976 paper of Warshel and Levitt. They, along with Martin Karplus, won the 2013 Nobel Prize in Chemistry for "the development of multiscale models for complex chemical systems". Efficiency An important advantage of QM/MM methods is their efficiency. The cost of doing classical molecular mechanics (MM) simulations in the most straightforward case scales as ''O''(''N''2), where ''N'' is the number of atoms in the system. This is mainly due to electrostatic interactions term (every particle interacts with everything else). However, use of cutoff radius, periodic pair-list updates and more recently the variations of the particle mesh Ewald (PME) method has reduced this ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Mechanics
Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to large biological systems or material assemblies with many thousands to millions of atoms. All-atomistic molecular mechanics methods have the following properties: * Each atom is simulated as one particle * Each particle is assigned a radius (typically the van der Waals radius), polarizability, and a constant net charge (generally derived from quantum calculations and/or experiment) * Bonded interactions are treated as ''springs'' with an equilibrium distance equal to the experimental or calculated bond length Variants on this theme are possible. For example, many simulations have historically used a ''united-atom'' representation in whic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Mechanics
Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary ( macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales. Most theories in classical physics can be derived from quantum mechanics as an approximation valid at large (macroscopic) scale. Quantum mechanics differs from classical physics in that energy, momentum, angular momentum, and other quantities of a bound system are restricted to discrete values ( quantization); objects have characteristics of both particles and waves (wave–particle duality); and there are limit ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Biocatalysis
Biocatalysis refers to the use of living (biological) systems or their parts to speed up ( catalyze) chemical reactions. In biocatalytic processes, natural catalysts, such as enzymes, perform chemical transformations on organic compounds. Both enzymes that have been more or less isolated and enzymes still residing inside living cells are employed for this task. Modern biotechnology, specifically directed evolution, has made the production of modified or non-natural enzymes possible. This has enabled the development of enzymes that can catalyze novel small molecule transformations that may be difficult or impossible using classical synthetic organic chemistry. Utilizing natural or modified enzymes to perform organic synthesis is termed chemoenzymatic synthesis; the reactions performed by the enzyme are classified as chemoenzymatic reactions. History Biocatalysis underpins some of the oldest chemical transformations known to humans, for brewing predates recorded history. The old ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Homogeneous Catalysis
In chemistry, homogeneous catalysis is catalysis by a soluble catalyst in a solution. Homogeneous catalysis refers to reactions where the catalyst is in the same phase as the reactants, principally in solution. In contrast, heterogeneous catalysis describes processes where the catalysts and substrate are in distinct phases, typically solid-gas, respectively. The term is used almost exclusively to describe solutions and implies catalysis by organometallic compounds. Homogeneous catalysis is an established technology that continues to evolve. An illustrative major application is the production of acetic acid. Enzymes are examples of homogeneous catalysts. Examples Acid catalysis The proton is a pervasive homogeneous catalyst because water is the most common solvent. Water forms protons by the process of self-ionization of water. In an illustrative case, acids accelerate (catalyze) the hydrolysis of esters: :CH3CO2CH3 + H2O CH3CO2H + CH3OH At neutral pH, aqueous solutions of m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Block (periodic Table)
A block of the periodic table is a set of elements unified by the atomic orbitals their valence electrons or vacancies lie in. The term appears to have been first used by Charles Janet. Each block is named after its characteristic orbital: s-block, p-block, d-block, and f-block. The block names (s, p, d, and f) are derived from the spectroscopic notation for the value of an electron's azimuthal quantum number: sharp (0), principal (1), diffuse (2), or fundamental (3). Succeeding notations proceed in alphabetical order, as g, h, etc., though elements that would belong in such blocks have not yet been found. Characteristics There is an ''approximate'' correspondence between this nomenclature of blocks, based on electronic configuration, and sets of elements based on chemical properties. The s-block and p-block together are usually considered main-group elements, the d-block corresponds to the transition metals, and the f-block corresponds to the inner trans ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mülheim
Mülheim, officially Mülheim an der Ruhr () and also described as ''"City on the River"'', is a city in North Rhine-Westphalia in Germany. It is located in the Ruhr Area between Duisburg, Essen, Oberhausen and Ratingen. It is home to many companies, especially in the food industry, such as the Aldi Süd Company, the Harke Group and the Tengelmann Group. Mülheim received its town charter in 1808, and 100 years later the population exceeded 100,000, making Mülheim officially a city. At the time of the city's 200th anniversary with approximately 170,000 residents, it was counted among the smaller cities of Germany. Geography Geographical location Mülheim an der Ruhr is located to the southwest of Essen in the Ruhr valley. Geology The northern foothills of the Rhenish Massif are characterised by the distinctive rock formation of the bare mountain slopes through which run coal-bearing layers which formed during the carboniferous period. Here the Ruhr cuts more than 50 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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