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Aqion is a hydrochemistry software tool. It bridges the gap between scientific software (such like PhreeqC [1]) and the calculation/handling of "simple" water-related tasks in daily routine practice. The software aqion is free for private users, education and companies.
The Charlot equation, named after Gaston Charlot, is used in analytical chemistry to relate the hydrogen ion concentration, and therefore the pH, with the formal analytical concentration of an acid and its conjugate base. It can be used for computing the pH of buffer solutions when the approximations of the Henderson–Hasselbalch equation ...
XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL . In Microsoft Windows this program is called WinDrawChem.
Given its greater H + concentration, the formula yields a lower pH value for the weak base. However, pH of bases is usually calculated in terms of the OH − concentration. This is done because the H + concentration is not a part of the reaction, whereas the OH − concentration is. The pOH is defined as:
Psi is an ab initio computational chemistry package originally written by the research group of Henry F. Schaefer, III (University of Georgia).Utilizing Psi, one can perform a calculation on a molecular system with various kinds of methods such as Hartree-Fock, Post-Hartree–Fock electron correlation methods, and density functional theory.
In 2014, a free Student Edition of the software was released, [5] and was later expanded in 2021 to a Community Edition free to all aqueous chemists. [ 6 ] An early version of the software was one of the first applications of parallel vector computing , the predecessor to today's multi-core processors , to geological research. [ 7 ]
The average cost of a homeowners policy has risen more than 30% since 2020. Yet you can still find ways to save on insurance, especially for seniors. See cost-saving tips for paying less on your ...
They can be used to calculate mixed ion activity coefficients and water activities in solutions of high ionic strength for which the Debye–Hückel theory is no longer adequate. They are more rigorous than the equations of specific ion interaction theory (SIT theory), but Pitzer parameters are more difficult to determine experimentally than ...