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The Journal Of Chemical Physics
''The Journal of Chemical Physics'' is a scientific journal published by the American Institute of Physics that carries research papers on chemical physics."About the Journal" from the ''Journal of Chemical Physics'' website. Two volumes, each of 24 issues, are published annually. It was established in 1933 when '''' editors refused to publish theoretical works. The editors have been: *2019-present: Tim Lian *2008–2018: *2007–2008: [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Physics
Chemical physics is a subdiscipline of chemistry and physics that investigates physicochemical phenomena using techniques from atomic and molecular physics and condensed matter physics; it is the branch of physics that studies chemical processes from the point of view of physics. While at the interface of physics and chemistry, chemical physics is distinct from physical chemistry in that it focuses more on the characteristic elements and theories of physics. Meanwhile, physical chemistry studies the physical nature of chemistry. Nonetheless, the distinction between the two fields is vague, and scientists often practice in both fields during the course of their research. The United States Department of Education defines chemical physics as "A program that focuses on the scientific study of structural phenomena combining the disciplines of physical chemistry and atomic/molecular physics. Includes instruction in heterogeneous structures, alignment and surface phenomena, quantum t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Axel D
Axel may refer to: People * Axel (name), all persons with the name Places * Axel, Netherlands, a town ** Capture of Axel, a battle at Axel in 1586 Arts, entertainment, media * ''Axel'', a 1988 short film by Nigel Wingrove * ''Axel'', a Cirque du Soleil show * ''Axël'', an 1890 drama play by Auguste Villiers de l'Isle-Adam * Axel (dance turn), a type of turn performed in dance * Axel lift, a movement in pair skating * Axel jump, a type of jump in figure skating * "Axel F", the 1985 instrumental theme song of ''Beverly Hills Cop'' by Harold Faltermeyer Companies, organizations * Axel Hotels, hotel chain * Axel Springer SE, largest digital publishing house in Europe Other uses * Axel Maersk, Danish container ship * Citroën Axel, automobile made by Citroën * Typhoon Axel (other), multiple storms named Axel See also * Aksel * Axl (other) * Axle An axle or axletree is a central shaft for a rotating wheel or gear. On wheeled vehicles, the axle may be fixed ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
American Institute Of Physics Academic Journals
American(s) may refer to: * American, something of, from, or related to the United States of America, commonly known as the "United States" or "America" ** Americans, citizens and nationals of the United States of America ** American ancestry, people who self-identify their ancestry as "American" ** American English, the set of varieties of the English language native to the United States ** Native Americans in the United States, indigenous peoples of the United States * American, something of, from, or related to the Americas, also known as "America" ** Indigenous peoples of the Americas * American (word), for analysis and history of the meanings in various contexts Organizations * American Airlines, U.S.-based airline headquartered in Fort Worth, Texas * American Athletic Conference, an American college athletic conference * American Recordings (record label), a record label previously known as Def American * American University, in Washington, D.C. Sports teams Soccer * Ba ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Physics Journals
A chemical substance is a form of matter having constant chemical composition and characteristic properties. Some references add that chemical substance cannot be separated into its constituent elements by physical separation methods, i.e., without breaking chemical bonds. Chemical substances can be simple substances (substances consisting of a single chemical element), chemical compounds, or alloys. Chemical substances are often called 'pure' to set them apart from mixtures. A common example of a chemical substance is pure water; it has the same properties and the same ratio of hydrogen to oxygen whether it is isolated from a river or made in a laboratory. Other chemical substances commonly encountered in pure form are diamond (carbon), gold, table salt (sodium chloride) and refined sugar (sucrose). However, in practice, no substance is entirely pure, and chemical purity is specified according to the intended use of the chemical. Chemical substances exist as solids, liquids, g ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Russian Journal Of Physical Chemistry B
''Russian Journal of Physical Chemistry B'' (Russian: ''Khimicheskaya Fizika'', ') at MAIK Nauka/Interperiodica web site. is an translation of the published by [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Russian Journal Of Physical Chemistry A
''Russian Journal of Physical Chemistry A: Focus on Chemistry'' (Russian: ''Zhurnal Fizicheskoi Khimii'') is an English-language translation of the published by Pleiades Publishing, Ltd and [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Annual Review Of Physical Chemistry
''Annual Review of Physical Chemistry'' is a peer-reviewed scientific journal published by Annual Reviews. It covers all topics pertaining to physical chemistry. The editors are Mark A. Johnson (Yale University) and Todd J. Martínez (Stanford University). The journal is indexed in the Science Citation Index Expanded and Chemical Abstracts Service. As of 2022, ''Journal Citation Reports'' gives it a 2021 impact factor of 16.314. History The ''Annual Review of Physical Chemistry'' published its first volume in 1950. Its founding editor was University of California chemist Gerhard Krohn Rollefson. Some branches of physical chemistry were designated to be reviewed with each volume, while other branches would be reviewed less frequently. Upon Rollefson's death in 1955, he was succeeded by Henry Eyring. The editorial committee considered changing the name of the journal in the 1980s to the ''Annual Review of Physical Chemistry and Chemical Physics'', though decided against it by 198 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pseudopotential
In physics, a pseudopotential or effective potential is used as an approximation for the simplified description of complex systems. Applications include atomic physics and neutron scattering. The pseudopotential approximation was first introduced by Hans Hellmann in 1934. Atomic physics The pseudopotential is an attempt to replace the complicated effects of the motion of the core (i.e. non- valence) electrons of an atom and its nucleus with an effective potential, or pseudopotential, so that the Schrödinger equation contains a modified effective potential term instead of the Coulombic potential term for core electrons normally found in the Schrödinger equation. The pseudopotential is an effective potential constructed to replace the atomic all-electron potential (full-potential) such that core states are eliminated ''and'' the valence electrons are described by pseudo-wavefunctions with significantly fewer nodes. This allows the pseudo-wavefunctions to be described with far ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ewald Summation
Ewald summation, named after Paul Peter Ewald, is a method for computing long-range interactions (e.g. electrostatic interactions) in periodic systems. It was first developed as the method for calculating electrostatic energies of ionic crystals, and is now commonly used for calculating long-range interactions in computational chemistry. Ewald summation is a special case of the Poisson summation formula, replacing the summation of interaction energies in real space with an equivalent summation in Fourier space. In this method, the long-range interaction is divided into two parts: a short-range contribution, and a long-range contribution which does not have a singularity. The short-range contribution is calculated in real space, whereas the long-range contribution is calculated using a Fourier transform. The advantage of this method is the rapid convergence of the energy compared with that of a direct summation. This means that the method has high accuracy and reasonable speed when co ... [...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] |
Equation Of State Calculations By Fast Computing Machines
"Equation of State Calculations by Fast Computing Machines" is a scholarly article published by Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller, and Edward Teller in the Journal of Chemical Physics in 1953. This paper proposed what became known as the Metropolis Monte Carlo algorithm, which forms the basis for Monte Carlo statistical mechanics simulations of atomic and molecular systems. Development Some controversy exists with regard to credit for development of the algorithm. Prior to 2003, there was no detailed account of the algorithm's development. Then, shortly before his death, Marshall Rosenbluth attended a 2003 conference at LANL marking the 50th anniversary of the 1953 publication. At this conference, Rosenbluth described the algorithm and its development in a presentation titled "Genesis of the Monte Carlo Algorithm for Statistical Mechanics". Further historical clarification is made by Gubernatis in a 2005 journal article recoun ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hybrid Functional
Hybrid functionals are a class of approximations to the exchange–correlation energy functional in density functional theory (DFT) that incorporate a portion of exact exchange from Hartree–Fock theory with the rest of the exchange–correlation energy from other sources (''ab initio'' or empirical). The exact exchange energy functional is expressed in terms of the Kohn–Sham orbitals rather than the density, so is termed an ''implicit'' density functional. One of the most commonly used versions is B3LYP, which stands for " Becke, 3-parameter, Lee–Yang– Parr". Origin The hybrid approach to constructing density functional approximations was introduced by Axel Becke in 1993. Hybridization with Hartree–Fock (HF) exchange (also called exact exchange) provides a simple scheme for improving the calculation of many molecular properties, such as atomization energies, bond lengths and vibration frequencies, which tend to be poorly described with simple "ab initio" functiona ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
