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In chemistry and biochemistry, the Henderson–Hasselbalch equation = + ([] []) relates the pH of a chemical solution of a weak acid to the numerical value of the acid dissociation constant, K a, of acid and the ratio of the concentrations, [] [] of the acid and its conjugate base in an equilibrium.
Speciation of ions refers to the changing concentration of varying forms of an ion as the pH of the solution changes. [1]The ratio of acid, AH and conjugate base, A −, concentrations varies as the difference between the pH and the pK a varies, in accordance with the Henderson-Hasselbalch equation.
Abbot's Kitchen chemistry laboratory in Oxford Detail of a wood engraving by W. E. Hodgkin of 1855 showing the Abbot's Kitchen. The Abbot's Kitchen in Oxford, England, is an early chemistry laboratory based on the Abbot's Kitchen at Glastonbury Abbey, a mediaeval 14th-century octagonal building that served as the kitchen at the abbey.
ZINDO is a semi-empirical quantum chemistry method used in computational chemistry.It is a development of the INDO method. It stands for Zerner's Intermediate Neglect of Differential Overlap, as it was developed by Michael Zerner and his coworkers in the 1970s.
Such a calculation in the Gaussian and Spartan programs also give the MP2 and MP4 energies which are also used. The effect of polarization functions is assessed using an MP4 calculation with the 6-311G(2df,p) basis set. The effect of diffuse functions is assessed using an MP4 calculation with the 6-311+G(d, p) basis set.
Eric Johnson "Rick" Heller (born January 10, 1946) is the Abbott and James Lawrence Professor of Chemistry and Professor of Physics at Harvard University.Heller is known for his work on time-dependent quantum mechanics, and also for producing digital art based on the results of his numerical calculations.
Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory (DFT). [1] ADF was first developed in the early seventies by the group of E. J. Baerends from the Vrije Universiteit in Amsterdam, and by the group of T. Ziegler from the University of Calgary.
Example Bjerrum plot: Change in carbonate system of seawater from ocean acidification.. A Bjerrum plot (named after Niels Bjerrum), sometimes also known as a Sillén diagram (after Lars Gunnar Sillén), or a Hägg diagram (after Gunnar Hägg) [1] is a graph of the concentrations of the different species of a polyprotic acid in a solution, as a function of pH, [2] when the solution is at ...