semiempirical
21Auger electron spectroscopy — (AES; Auger pronounced|oːʒeː in French) is a common analytical technique used specifically in the study of surfaces and, more generally, in the area of materials science. Underlying the spectroscopic technique is the Auger effect, as it has come… …
22Timeline of microphysics — Timeline of quantum mechanics, molecular physics, atomic physics, nuclear physics, and particle physics* 585 BC Buddha stated that there were indivisible particles of mind and matter which vibrated 3 trillion times in the blink of an eye which he …
23Density functional theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …
24Ahmednagar — Infobox Indian Jurisdiction native name = Ahmednagar | type = city | latd = 19.08 | longd = 74.73 locator position = right | state name = Maharashtra district = Ahmednagar leader title = leader name = altitude = 649 population as of = 2001… …
25Partial charge — A partial charge is a charge with an absolute value of less than one elementary charge unit (that is, smaller than the charge of the electron).Partial atomic chargesPartial charges are created due to the asymmetric distribution of electrons in… …
26Hexanitrobenzene — 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 …
27Pariser–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… …
28Glass electrode — A glass electrode is a type of ion selective electrode made of a doped glass membrane that is sensitive to a specific ion. It is an important part of the instrumentation for chemical analysis and physico chemical studies. In modern practice,… …
29Extended 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… …
30Molecularity — in chemistry is the number of colliding molecular entities that are involved in a single reaction step.[1] While the order of a reaction is derived experimentally, the molecularity is a theoretical concept and can only be applied to elementary… …
