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SMARTS is a line notation for specification of substructural patterns in molecules. While it uses many of the same symbols as SMILES, it also allows specification of wildcard atoms and bonds, which can be used to define substructural queries for chemical database searching. One common misconception is that SMARTS-based substructural searching ...
Python sets are very much like mathematical sets, and support operations like set intersection and union. Python also features a frozenset class for immutable sets, see Collection types. Dictionaries (class dict) are mutable mappings tying keys and corresponding values. Python has special syntax to create dictionaries ({key: value})
A chart or table of nuclides maps the nuclear, or radioactive, behavior of nuclides, as it distinguishes the isotopes of an element.It contrasts with a periodic table, which only maps their chemical behavior, since isotopes (nuclides that are variants of the same element) do not differ chemically to any significant degree, with the exception of hydrogen.
An isotopologue with a doubly substituted bond is therefore slightly more thermodynamically stable, which will tend to produce a higher abundance of the doubly substituted (or “clumped”) species than predicted by the statistical abundance of each heavy isotope (known as a stochastic distribution of isotopes).
A nuclide is a species of an atom with a specific number of protons and neutrons in the nucleus, for example, carbon-13 with 6 protons and 7 neutrons. The nuclide concept (referring to individual nuclear species) emphasizes nuclear properties over chemical properties, whereas the isotope concept (grouping all atoms of each element) emphasizes chemical over nuclear.
An isotopic signature (also isotopic fingerprint) is a ratio of non-radiogenic 'stable isotopes', stable radiogenic isotopes, or unstable radioactive isotopes of particular elements in an investigated material. The ratios of isotopes in a sample material are measured by isotope-ratio mass spectrometry against an isotopic reference material.
See Isotope#Notation for an explanation of the notation used for different nuclide or isotope types. Nuclear isomers are members of a set of nuclides with equal proton number and equal mass number (thus making them by definition the same isotope), but different states of excitation. An example is the two states of the single isotope 99 43 Tc
For other isotopes, the isotopic mass is usually within 0.1 u of the mass number. For example, 35 Cl (17 protons and 18 neutrons) has a mass number of 35 and an isotopic mass of 34.96885. [7] The difference of the actual isotopic mass minus the mass number of an atom is known as the mass excess, [8] which for 35 Cl is –0.03115.