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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.
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.
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 ...
The most common method of eliminating the liquid junction potential is to place a salt bridge consisting of a saturated solution of potassium chloride (KCl) and ammonium nitrate (NH 4 NO 3) with lithium acetate (CH 3 COOLi) between the two solutions constituting the junction. When such a bridge is used, the ions in the bridge are present in ...
Free-energy perturbation (FEP) is a method based on statistical mechanics that is used in computational chemistry for computing free-energy differences from molecular dynamics or Metropolis Monte Carlo simulations. The FEP method was introduced by Robert W. Zwanzig in 1954. [1]
Ab initio quantum chemistry methods are a class of computational chemistry techniques based on quantum chemistry that aim to solve the electronic Schrödinger equation. [1] Ab initio means "from first principles" or "from the beginning", meaning using only physical constants [ 2 ] and the positions and number of electrons in the system as input.
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.