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For example, the shift of the phenol OH stretching frequency, Δχ, that occurs upon adduct formation has been analyzed using the following equation: Δχ = Ε A ∗ E B + C A ∗ C B + W ∗. where asterisks on the E A and C A for phenol indicate that the acceptor is held constant and the frequency shift is measured as the base is varied. The ...
The mode of a sample is the element that occurs most often in the collection. For example, the mode of the sample [1, 3, 6, 6, 6, 6, 7, 7, 12, 12, 17] is 6. Given the list of data [1, 1, 2, 4, 4] its mode is not unique. A dataset, in such a case, is said to be bimodal, while a set with more than two modes may be described as multimodal.
SMILES generation algorithm for ciprofloxacin: break cycles, then write as branches off a main backbone. The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings.
In a chemical graph, the maximum degree of an atom is its valence, and the maximum number of bonds a chemical element can make. For example, carbon's valence is 4. In a chemical graph, an atom is saturated if it reaches its valence. A graph is connected if there is at least one path between each pair of vertices.
A chemical equation is the symbolic representation of a chemical reaction in the form of symbols and chemical formulas.The reactant entities are given on the left-hand side and the product entities are on the right-hand side with a plus sign between the entities in both the reactants and the products, and an arrow that points towards the products to show the direction of the reaction. [1]
For example, the copolymerization of maleic anhydride and styrene has reactivity ratios = 0.01 for maleic anhydride and = 0.02 for styrene. [7] Maleic acid in fact does not homopolymerize in free radical polymerization, but will form an almost exclusively alternating copolymer with styrene.
The Van 't Hoff equation relates the change in the equilibrium constant, K eq, of a chemical reaction to the change in temperature, T, given the standard enthalpy change, Δ r H ⊖, for the process. The subscript r {\displaystyle r} means "reaction" and the superscript ⊖ {\displaystyle \ominus } means "standard".
The construction of physical models is often a creative act, and many bespoke examples have been carefully created in the workshops of science departments. There is a very wide range of approaches to physical modeling, including ball-and-stick models available for purchase commercially, to molecular models created using 3D printers .