Calculation

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» Adsorption Analysis Software - Software provides a wide set of methods for chemists and educators to perform adsorption analysis, to evaluate Pore Size Distributions PSD, Surface Properties, Energies, Physico-Chemical Properties Calculation and predictions.
» ChemBalance - A windows program for balancing chemical equations.
» ChemCalc - Online calculator for molecular formula, molecular weight, elemental composition, and isotopic distribution. Java recommended.
» Chemical Equation Expert - Windows software to balance and calculate chemical equations. Demo and ordering information available.
» Chemical Equations - Windows program for balancing equations and conducting chemical calculations. Trial and purchase versions available.
» Chemistry Functions - Molar conversions, balancing of equations, and an interactive periodic table directly on the webpage. Requires JavaScript.
» Elem - Free program for the interpretation of elemental analysis results. For Windows and Unix; source code available.
» Isotope Pattern Calculator v2.0 - A JavaScript shareware program that calculates isotopic ratio patterns for molecular fragments.
» JFormula - Information System intended to support multi-stepped technological processes that can be defined on a table of mixes and ingredients and do not involve chemical reactions. The system includes an algorithm to calculate material requirements.
» MS Tools - Online exact mass calculator, mass spectrum generator, and isotope distribution calculator.
» McDalton - Free formula mass calculator for Windows, uses the latest values of atomic weights as recommended by IUPAC. For educational purposes, shows calculations as well as the uncertainty of the result.
» Mole Calc - Free software for Windows for the calculation of molecular weights. Also available in French.
» Molecular Weight Calculator - A web-based program that calculates the number of constituent atoms, molecular weight, and percent composition based on a molecular formula.
» Molecular weight and elemental analysis calculator - This unix program calculates the formula weight and the element distribution for a given chemical formula.
» Norgwyn Montgomery Software - NGMSI sells software for 3-D molecular modeling, chemical database creation and manipulation, 2-D publication quality drawing, calculation of over 100 physical properties from structure, automatic chemical internet database generation, and QSAR and QSPR a
» Physicochemical Calculators - Simple online and offline calculators for boiling point at reduced pressure, unit conversion, and molecular mass.
» Reagent Calculator - Windows software for the calculation of molecular weight, molecular formulas, mass percentages, mass spectroscopy fragments and adducts, and elemental analysis component; also includes a reagent library.
» Visual MINTEQ - A free equilibrium speciation model, which calculates chemical equilibria in aqueous systems at low ionic strength.