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S. Francis Boys
Samuel Francis (Frank) Boys (20 December 1911 – 16 October 1972) was a British theoretical chemist. Education Boys was born in Pudsey, Yorkshire, England. He was educated at the Grammar School in Pudsey and then at Imperial College London. He graduated in Chemistry in 1932. He was awarded a PhD in 1937 from Cambridge for research conducted at Trinity College, supervised first by Martin Lowry, and then, after Lowry's 1936 death, by John Lennard-Jones. His thesis was "The Quantum Theory of Optical Rotation". Career In 1938, Boys was appointed an Assistant Lecturer in Mathematical Physics at Queen's University Belfast. He spent the whole of the Second World War working on explosives research with the Ministry of Supply at the Royal Arsenal, Woolwich, with Lennard-Jones as his supervisor. After the war, Boys accepted an ICI Fellowship at Imperial College, London. In 1949, he was appointed to a Lectureship in theoretical chemistry at the University of Cambridge. He remained ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pudsey
Pudsey is a market town in the City of Leeds, City of Leeds Borough in West Yorkshire, England. It is located midway between Bradford, Bradford city centre and Leeds city centre. Historic counties of England, Historically in the West Riding of Yorkshire, it has a population of 22,408. History The place-name ''Pudsey'' is first recorded in 1086 in the Domesday Book as ''Podechesai(e)''. Its etymology is rather uncertain: it seems most likely to derive from a putative personal name *''Pudoc'' and the word ''ēg'' meaning 'island' but here presumably referring metaphorically to an 'island' of good ground in moorland. Thus the name would mean 'Pudoc's island'. Other possibilities have been suggested, however. In the early sixth century the district was in the Kingdom of Elmet, which seems to have retained its Celtic character for perhaps as many as two centuries after other neighbouring kingdoms had adopted the cultural identity of the Angles. Around 1775, a cache of a 100 silver ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ministry Of Supply
The Ministry of Supply (MoS) was a department of the UK government formed in 1939 to co-ordinate the supply of equipment to all three British armed forces, headed by the Minister of Supply. A separate ministry, however, was responsible for aircraft production, and the Admiralty retained responsibilities for supplying the Royal Navy.Hornby (1958) During the war years the MoS was based at Shell Mex House in The Strand, London. The Ministry of Supply also took over all army research establishments in 1939. The Ministry of Aircraft Production was abolished in 1946, and the MoS took over its responsibilities for aircraft, including the associated research establishments. In the same year, it also took on increased responsibilities for atomic weapons, including the H-bomb development programme. The Ministry of Supply was abolished in late 1959 and its responsibilities passed to the Ministry of Aviation, the War Office, and the Air Ministry. The latter two ministries were subsequently ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
International Journal Of Quantum Chemistry
The ''International Journal of Quantum Chemistry'' is a peer-reviewed scientific journal publishing original, primary research and review articles on all aspects of quantum chemistry, including an expanded scope focusing on aspects of materials science, biochemistry, biophysics, quantum physics, quantum information theory, etc. According to the ''Journal Citation Reports'', the journal has a 2020 impact factor of 2.444. It was established in 1967 by Per-Olov Löwdin Per-Olov Löwdin (October 28, 1916 – October 6, 2000) was a Swedish physicist, professor at the University of Uppsala from 1960 to 1983, and in parallel at the University of Florida until 1993. A former graduate student under Ivar Waller, Löwd .... In 2011, the journal moved to an in-house editorial office model, in which a permanent team of full-time, professional editors is responsible for article scrutiny and editorial content. References External links * Chemistry journals Publications established ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry World
''Chemistry World'' is a monthly chemistry news magazine published by the Royal Society of Chemistry. The magazine addresses current events in world of chemistry including research, international business news and government policy as it affects the chemical science community, plus the best product applications. It features regular columns by Philip Ball, Derek Lowe, Andrea Sella, Raychelle Burks, Alice Motion and Vanessa Seifert. The magazine is sent to all members of the Royal Society of Chemistry and is included in the cost of membership. In August 2016, the magazine began offering a "soft" paywall option, where a limited amount of content is made available free to all unregistered readers. According to the ''Journal Citation Reports'', the journal has a 2011 impact factor of 0.159, ranking it 146th out of 154 journals in the category "Chemistry, Multidisciplinary". History In 1965 two British chemistry institutions, the Chemical Society and the Royal Institute of Chemistr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
St Catharine's College, Cambridge
St Catharine's College is a constituent college of the University of Cambridge. Founded in 1473 as Katharine Hall, it adopted its current name in 1860. The college is nicknamed "Catz". The college is located in the historic city-centre of Cambridge, and lies just south of King's College and across the street from Corpus Christi College. The college is notable for its open court (rather than closed quadrangle) that faces towards Trumpington Street. St Catharine's is unique in being the only Oxbridge college founded by the serving head of another college. The college community is moderately sized, consisting of approximately 70 fellows, 150 graduate students, and 410 undergraduates. History Foundation Robert Woodlark, Provost of King’s College, had begun preparations for the founding of a new college as early as 1459 when he bought tenements on which the new college could be built. The preparation cost him a great deal of his private fortune (he was suspected of divert ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Isaiah Shavitt
Isaiah Shavitt was a Polish-born Israeli and American theoretical chemist. He was born Isaiah Kruk on July 29, 1925 in Kutno, Poland but his family moved to what would become Israel in 1929. After undergraduate degrees in chemistry (1950) and chemical engineering (1951) from the Technion in Haifa, he started a Ph.D. in experimental physical chemistry, but shortly after traveled to Cambridge University on a British Council Scholarship and completed his Ph.D. (1957) under the aegis of pioneering computational chemist S. Francis Boys. Following postdoctoral work with Joseph O. Hirschfelder, a stint as a temporary assistant professor at Brandeis University, and further postdoctoral research with Martin Karplus, he became a professor at his alma mater in 1962. In 1967 he moved to a senior research position at Battelle Memorial Institute in Columbus, Ohio, United States. In 1968 he also became a part-time faculty member at the Department of Chemistry at Ohio State University and moved ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e., the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge density distributions, dipoles and higher multipole moments, vi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Basis Set (chemistry)
In theoretical and computational chemistry, a basis set is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer. The use of basis sets is equivalent to the use of an approximate resolution of the identity: the orbitals , \psi_i\rangle are expanded within the basis set as a linear combination of the basis functions , \psi_i\rangle \approx \sum_\mu c_ , \mu\rangle, where the expansion coefficients c_ are given by c_ = \sum_\nu \langle \mu, \nu \rangle^ \langle \nu , \psi_i \rangle. The basis set can either be composed of atomic orbitals (yielding the linear combination of atomic orbitals approach), which is the usual choice within the quantum chemistry community; plane waves which are typically used within the solid state community, or ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Chemistry
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of Molecule, molecules, Material, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed Wave function, wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties. Quantum chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics. Chemists rely heavily on spectroscopy through which information regarding the Quantization (physics), quantization of energy on a molecular scale can be obtained. Common metho ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ab Initio Quantum Chemistry Methods
''Ab initio'' quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. ''Ab initio'' means "from first principles" or "from the beginning", implying that the only inputs into an ''ab initio'' calculation are physical constants. ''Ab initio'' quantum chemistry methods attempt to solve the electronic Schrödinger equation given the positions of the nuclei and the number of electrons in order to yield useful information such as electron densities, energies and other properties of the system. The ability to run these calculations has enabled theoretical chemists to solve a range of problems and their importance is highlighted by the awarding of the Nobel prize to John Pople and Walter Kohn. Accuracy and scaling ''Ab initio'' electronic structure method ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wolfson College, Cambridge
Wolfson College () is a colleges of the University of Cambridge, constituent college of the University of Cambridge in Cambridge, England. The majority of students at the college are postgraduate education, postgraduates. The college also admits Adult learner, "mature" Undergraduate education, undergraduates (aged 21 and above), with around 15% of students studying undergraduate degree courses at the university. The college was founded in 1965 as "University College", but was refounded as Wolfson College in 1973 in recognition of the benefaction of the Wolfson Foundation. Wolfson is located to the south-west of Cambridge city centre, near the Cambridge University Library, University Library. As one of the more modern colleges in Cambridge, Wolfson does not follow all of the traditions of some of the university's older colleges. For example, since the college's founding there has been no "High Table" reserved for Fellows at Formal Hall dinners; students and Fellows mix and di ... [...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] |
