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Werner Kutzelnigg
Werner Kutzelnigg (September 10, 1933 – November 24, 2019 in Bochum) was a prominent Austrian-born theoretical chemist and professor in the Chemistry Faculty, Ruhr-Universität Bochum, Germany. Kutzelnigg was born in Vienna. His most significant contributions were in the following fields: relativistic quantum chemistry, coupled cluster methods, theoretical calculation of NMR chemical shifts, explicitly correlated wavefunctions. He was a member of the International Academy of Quantum Molecular Science The International Academy of Quantum Molecular Science (IAQMS) is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members wer .... Life Werner Kutzelnigg studied chemistry in Bonn and Freiburg i. Br. and was awarded his doctorate in 1960 for his experimental work "Untersuchungen zur Zuordnung der Normalschwingungen und Aufklärung der Struktur organischer Ione ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bochum
Bochum ( , also , ; wep, Baukem) is a city in North Rhine-Westphalia. With a population of 364,920 (2016), is the sixth largest city (after Cologne, Düsseldorf, Dortmund, Essen and Duisburg) of the most populous Germany, German federal state of North Rhine-Westphalia and the List of cities in Germany by population, 16th largest city of Germany. On the Ruhr Heights (''Ruhrhöhen'') hill chain, between the rivers Ruhr (river), Ruhr to the south and Emscher to the north (tributaries of the Rhine), it is the second largest city of Westphalia after Dortmund, and the fourth largest city of the Ruhr after Dortmund, Essen and Duisburg. It lies at the centre of the Ruhr, Germany's largest urban area, in the Rhine-Ruhr, Rhine-Ruhr Metropolitan Region, and belongs to the Arnsberg (region), region of Arnsberg. Bochum is the sixth largest and one of the southernmost cities in the Low German dialect area. There are nine institutions of higher education in the city, most notably the Ruhr Unive ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
International Academy Of Quantum Molecular Science
The International Academy of Quantum Molecular Science (IAQMS) is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were Raymond Daudel, Per-Olov Löwdin, Robert G. Parr, John Pople and Bernard Pullman. Its foundation was supported by Louis de Broglie. Originally the Academy had 25 regular members under 65 years of age. This was later raised to 30, and then to 35. There is no limit on the number of members over 65 years of age. The members are "chosen among the scientists of all countries who have distinguished themselves by the value of their scientific work, their role of pioneer or leader of a school in the broad field of quantum chemistry, i.e. the application of quantum mechanics to the study of molecules and macromolecules". The Academy presently consists of 90 members (as of 2006). The Academy organizes the International Congress of Quantum Chemi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Members Of The International Academy Of Quantum Molecular Science
Member may refer to: * Military jury, referred to as "Members" in military jargon * Element (mathematics), an object that belongs to a mathematical set * In object-oriented programming, a member of a class ** Field (computer science), entries in a database ** Member variable, a variable that is associated with a specific object * Limb (anatomy), an appendage of the human or animal body ** Euphemism for penis * Structural component of a truss, connected by nodes * User (computing), a person making use of a computing service, especially on the Internet * Member (geology), a component of a geological formation * Member of parliament * The Members, a British punk rock band * Meronymy, a semantic relationship in linguistics * Church membership, belonging to a local Christian congregation, a Christian denomination and the universal Church * Member, a participant in a club or learned society A learned society (; also learned academy, scholarly society, or academic association) is an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Theoretical Chemists
A theory is a rational type of abstract thinking about a phenomenon, or the results of such thinking. The process of contemplative and rational thinking is often associated with such processes as observational study or research. Theories may be scientific, belong to a non-scientific discipline, or no discipline at all. Depending on the context, a theory's assertions might, for example, include generalized explanations of how nature works. The word has its roots in ancient Greek, but in modern use it has taken on several related meanings. 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 compre ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Austrian Chemists
Austrian may refer to: * Austrians, someone from Austria or of Austrian descent ** Someone who is considered an Austrian citizen, see Austrian nationality law * Austrian German dialect * Something associated with the country Austria, for example: ** Austria-Hungary ** Austrian Airlines (AUA) ** Austrian cuisine ** Austrian Empire ** Austrian monarchy ** Austrian German (language/dialects) ** Austrian literature ** Austrian nationality law ** Austrian Service Abroad ** Music of Austria ** Austrian School of Economics * Economists of the Austrian school of economic thought * The Austrian Attack variation of the Pirc Defence chess opening. See also * * * Austria (other) * Australian (other) * L'Autrichienne (other) is the feminine form of the French word , meaning "The Austrian". It may refer to: *A derogatory nickname for Queen Marie Antoinette of France *L'Autrichienne (film), ''L'Autrichienne'' (film), a 1990 French film on Marie Antoinette wit ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
2019 Deaths
This is a list of deaths of notable people, organised by year. New deaths articles are added to their respective month (e.g., Deaths in ) and then linked here. 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2001 2000 1999 1998 1997 1996 1995 1994 1993 1992 1991 1990 1989 1988 1987 See also * Lists of deaths by day The following pages, corresponding to the Gregorian calendar, list the historical events, births, deaths, and holidays and observances of the specified day of the year: Footnotes See also * Leap year * List of calendars * List of non-standard ... * Deaths by year {{DEFAULTSORT:deaths by year ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
1933 Births
Events January * January 11 – Sir Charles Kingsford Smith makes the first commercial flight between Australia and New Zealand. * January 17 – The United States Congress votes in favour of Philippines independence, against the wishes of U.S. President Herbert Hoover. * January 28 – "Pakistan Declaration": Choudhry Rahmat Ali publishes (in Cambridge, UK) a pamphlet entitled ''Now or Never; Are We to Live or Perish Forever?'', in which he calls for the creation of a Muslim state in northwest India that he calls " Pakstan"; this influences the Pakistan Movement. * January 30 ** National Socialist German Workers Party leader Adolf Hitler is appointed Chancellor of Germany by President of Germany Paul von Hindenburg. ** Édouard Daladier forms a government in France in succession to Joseph Paul-Boncour. He is succeeded on October 26 by Albert Sarraut and on November 26 by Camille Chautemps. February * February 1 – Adolf Hitler gives his "Proclamation to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Shift
In nuclear magnetic resonance (NMR) spectroscopy, the chemical shift is the resonant frequency of an atomic nucleus relative to a standard in a magnetic field. Often the position and number of chemical shifts are diagnostic of the structure of a molecule. Chemical shifts are also used to describe signals in other forms of spectroscopy such as photoemission spectroscopy. Some atomic nuclei possess a magnetic moment ( nuclear spin), which gives rise to different energy levels and resonance frequencies in a magnetic field. The total magnetic field experienced by a nucleus includes local magnetic fields induced by currents of electrons in the molecular orbitals (note that electrons have a magnetic moment themselves). The electron distribution of the same type of nucleus (e.g. ) usually varies according to the local geometry (binding partners, bond lengths, angles between bonds, and so on), and with it the local magnetic field at each nucleus. This is reflected in the spin energy le ... [...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] |
NMR Spectroscopy
Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. The sample is placed in a magnetic field and the NMR signal is produced by excitation of the nuclei sample with radio waves into nuclear magnetic resonance, which is detected with sensitive radio receivers. The intramolecular magnetic field around an atom in a molecule changes the resonance frequency, thus giving access to details of the electronic structure of a molecule and its individual functional groups. As the fields are unique or highly characteristic to individual compounds, in modern organic chemistry practice, NMR spectroscopy is the definitive method to identify monomolecular organic compounds. The principle of NMR usually involves three sequential steps: # The alignment (polarization) of the magnetic nuclear spins in an applied, constant magnetic field B0. # The ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Coupled Cluster
Coupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry, but it is also used in nuclear physics. Coupled cluster essentially takes the basic Hartree–Fock molecular orbital method and constructs multi-electron wavefunctions using the exponential cluster operator to account for electron correlation. Some of the most accurate calculations for small to medium-sized molecules use this method. The method was initially developed by Fritz Coester and Hermann Kümmel in the 1950s for studying nuclear-physics phenomena, but became more frequently used when in 1966 Jiří Čížek (and later together with Josef Paldus) reformulated the method for electron correlation in atoms and molecules. It is now one of the most prevalent methods in quantum chemistry that includes electronic correlation. CC theory is simply the pertur ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
