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Computational and Theoretical Chemistry is a peer-reviewed scientific journal published by Elsevier. It was established in 1985 as Journal of Molecular Structure: THEOCHEM, a spin-off of the Journal of Molecular Structure. It obtained its current name in 2011 and covers molecular structure in theoretical chemistry.
Standard abbreviations ISO 4: J. Chem. Theory Comput. ... Computational and Theoretical Chemistry; ... Toggle the table of contents.
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
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. [1]
The Journal of Computational Biophysics and Chemistry is a peer-reviewed scientific journal covering developments in theoretical and computational chemistry and biophysics, as well as their applications to other scientific fields, such as medicine, pharmaceutical and materials sciences.
Ab initio quantum chemistry methods are a class of computational chemistry techniques based on quantum chemistry that aim to solve the electronic Schrödinger equation. [1] Ab initio means "from first principles" or "from the beginning", meaning using only physical constants [ 2 ] and the positions and number of electrons in the system as input.
The Journal of Chemical Information and Modeling is a peer-reviewed scientific journal published by the American Chemical Society.It was established in 1961 as the Journal of Chemical Documentation, renamed in 1975 to Journal of Chemical Information and Computer Sciences, and obtained its current name in 2005.
The Journal of Computational Chemistry is a peer-reviewed scientific journal published since 1980 by John Wiley & Sons.It covers research, contemporary developments in theory and methodology, and applications in all areas of computational chemistry, including ab initio quantum chemistry methods and semiempirical methods, density functional theory, molecular mechanics, molecular dynamics ...