Pariser–Parr–Pople method — In molecular physics, the Pariser–Parr–Pople method applies semi empirical quantum mechanical methods to the quantitative prediction of electronic structures and spectra, in molecules of interest in the field of organic chemistry. Previous… … Wikipedia
Extended Huckel method — The extended Hückel method is a semiempirical quantum chemistry method, developed by Roald Hoffmann since 1963. [Hoffmann, R. An Extended Hückel Theory. I. Hydrocarbons. J. Chem. Phys 1963, 39 , 1397 1412. doi|10.1063/1.1734456] It is based on… … Wikipedia
Hexanitrobenzene — Chembox new ImageFile = Hexanitrobenzene alt.png ImageSize = 180px IUPACName = 1,2,3,4,5,6 Hexanitrobenzene OtherNames = Section1 = Chembox Identifiers CASNo = PubChem = SMILES = Section2 = Chembox Properties C=6|N=6|O=12 MolarMass = 348.10 g/mol … Wikipedia
Journal of Computational Chemistry — The Journal of Computational Chemistry is a peer reviewed scientific journal, published since 1980 by John Wiley Sons. It publishes original research, contemporary developments in theory and methodology, and state of the art applications in all… … Wikipedia
halbempirische Methode — pusempiris metodas statusas T sritis fizika atitikmenys: angl. semiempirical method vok. halbempirische Methode, f rus. полуэмпирический метод, m pranc. méthode semi empirique, f … Fizikos terminų žodynas
méthode semi-empirique — pusempiris metodas statusas T sritis fizika atitikmenys: angl. semiempirical method vok. halbempirische Methode, f rus. полуэмпирический метод, m pranc. méthode semi empirique, f … Fizikos terminų žodynas
pusempiris metodas — statusas T sritis fizika atitikmenys: angl. semiempirical method vok. halbempirische Methode, f rus. полуэмпирический метод, m pranc. méthode semi empirique, f … Fizikos terminų žodynas
полуэмпирический метод — pusempiris metodas statusas T sritis fizika atitikmenys: angl. semiempirical method vok. halbempirische Methode, f rus. полуэмпирический метод, m pranc. méthode semi empirique, f … Fizikos terminų žodynas
SAM1 — SAM1, or Semiempirical ab initio Model 1 , is a semiempirical quantum chemistry method for computing molecular properties. It is an implementation the general Neglect of Differential Diatomic Overlap (NDDO) integral approximation, and is… … Wikipedia
radioactivity — /ray dee oh ak tiv i tee/, n. Physics, Chem. the phenomenon, exhibited by and being a property of certain elements, of spontaneously emitting radiation resulting from changes in the nuclei of atoms of the element. Also called activity. [1895… … Universalium