Science: Chemistry: Software: Calculation

Chemistry shareware for Windows which calculates the amount of reagent to use when mixing, diluting, and dispensing solutions.

A JavaScript shareware program that calculates isotopic ratio patterns for molecular fragments.

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.

Online exact mass calculator, mass spectrum generator, and isotope distribution calculator.

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 analysis as well as chemical databases.

Simple online and offline calculators for boiling point at reduced pressure, unit conversion, and molecular mass.

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.

Windows program for calculating molecular mass, dilutions, conversions, radioactive decay. Free trial version available.

A free equilibrium speciation model, which calculates chemical equilibria in aqueous systems at low ionic strength.